8xGRAMICIDIN A WITH WATER SOLVATING (99120 ATOMS)

UNITS kcal
molecular types  2
Gramicidin A
nummols  8
atoms  354
    O        16.0000     -0.5000    1   0   1
    CS       12.0100      0.5000    1   0   1
    N        14.0100     -0.5700    1   0   2
    H         1.0080      0.3700    1   0   2
    CH       13.0200      0.2000    1   0   2
    CZ       14.0300      0.0000    1   0   2
    C3       15.0300      0.0000    1   0   2
    C3       15.0300      0.0000    1   0   2
    C        12.0100      0.5000    1   0   2
    O        16.0000     -0.5000    1   0   2
    N        14.0100     -0.5700    1   0   3
    H         1.0080      0.3700    1   0   3
    CQ       12.0100      0.2000    1   0   3
    C        12.0100      0.5000    1   0   3
    O        16.0000     -0.5000    1   0   3
    N        14.0100     -0.5700    1   0   4
    H         1.0080      0.3700    1   0   4
    CH       13.0200      0.2000    1   0   4
    C3       15.0300      0.0000    1   0   4
    C        12.0100      0.5000    1   0   4
    O        16.0000     -0.5000    1   0   4
    N        14.0100     -0.5700    1   0   5
    H         1.0080      0.3700    1   0   5
    CH       13.0200      0.2000    1   0   5
    C2       14.0300      0.0000    1   0   5
    CZ       14.0300      0.0000    1   0   5
    C3       15.0300      0.0000    1   0   5
    C3       15.0300      0.0000    1   0   5
    C        12.0100      0.5000    1   0   5
    O        16.0000     -0.5000    1   0   5
    N        14.0100     -0.5700    1   0   6
    H         1.0080      0.3700    1   0   6
    CH       13.0200      0.2000    1   0   6
    C3       15.0300      0.0000    1   0   6
    C        12.0100      0.5000    1   0   6
    O        16.0000     -0.5000    1   0   6
    N        14.0100     -0.5700    1   0   7
    H         1.0080      0.3700    1   0   7
    CH       13.0200      0.2000    1   0   7
    CZ       14.0300      0.0000    1   0   7
    C3       15.0300      0.0000    1   0   7
    C3       15.0300      0.0000    1   0   7
    C        12.0100      0.5000    1   0   7
    O        16.0000     -0.5000    1   0   7
    N        14.0100     -0.5700    1   0   8
    H         1.0080      0.3700    1   0   8
    CH       13.0200      0.2000    1   0   8
    CZ       14.0300      0.0000    1   0   8
    C3       15.0300      0.0000    1   0   8
    C3       15.0300      0.0000    1   0   8
    C        12.0100      0.5000    1   0   8
    O        16.0000     -0.5000    1   0   8
    N        14.0100     -0.5700    1   0   9
    H         1.0080      0.3700    1   0   9
    CH       13.0200      0.2000    1   0   9
    CZ       14.0300      0.0000    1   0   9
    C3       15.0300      0.0000    1   0   9
    C3       15.0300      0.0000    1   0   9
    C        12.0100      0.5000    1   0   9
    O        16.0000     -0.5000    1   0   9
    N        14.0100     -0.5700    1   0  10
    H         1.0080      0.3700    1   0  10
    CH       13.0200      0.2000    1   0  10
    C2       14.0300      0.1150    1   0  10
    CK       12.0100     -0.1700    1   0  10
    CK       12.0100      0.0150    1   0  10
    HK        1.0080      0.1150    1   0  10
    NA       14.0100     -0.5700    1   0  10
    H         1.0080      0.4200    1   0  10
    CN       12.0100      0.1300    1   0  10
    CK       12.0100     -0.1150    1   0  10
    HK        1.0080      0.1150    1   0  10
    CK       12.0100     -0.1150    1   0  10
    HK        1.0080      0.1150    1   0  10
    CK       12.0100     -0.1150    1   0  10
    HK        1.0080      0.1150    1   0  10
    CK       12.0100     -0.1150    1   0  10
    HK        1.0080      0.1150    1   0  10
    CB       12.0100     -0.0550    1   0  10
    C        12.0100      0.5000    1   0  10
    O        16.0000     -0.5000    1   0  10
    N        14.0100     -0.5700    1   0  11
    H         1.0080      0.3700    1   0  11
    CH       13.0200      0.2000    1   0  11
    C2       14.0300      0.0000    1   0  11
    CZ       14.0300      0.0000    1   0  11
    C3       15.0300      0.0000    1   0  11
    C3       15.0300      0.0000    1   0  11
    C        12.0100      0.5000    1   0  11
    O        16.0000     -0.5000    1   0  11
    N        14.0100     -0.5700    1   0  12
    H         1.0080      0.3700    1   0  12
    CH       13.0200      0.2000    1   0  12
    C2       14.0300      0.1150    1   0  12
    CK       12.0100     -0.1700    1   0  12
    CK       12.0100      0.0150    1   0  12
    HK        1.0080      0.1150    1   0  12
    NA       14.0100     -0.5700    1   0  12
    H         1.0080      0.4200    1   0  12
    CN       12.0100      0.1300    1   0  12
    CK       12.0100     -0.1150    1   0  12
    HK        1.0080      0.1150    1   0  12
    CK       12.0100     -0.1150    1   0  12
    HK        1.0080      0.1150    1   0  12
    CK       12.0100     -0.1150    1   0  12
    HK        1.0080      0.1150    1   0  12
    CK       12.0100     -0.1150    1   0  12
    HK        1.0080      0.1150    1   0  12
    CB       12.0100     -0.0550    1   0  12
    C        12.0100      0.5000    1   0  12
    O        16.0000     -0.5000    1   0  12
    N        14.0100     -0.5700    1   0  13
    H         1.0080      0.3700    1   0  13
    CH       13.0200      0.2000    1   0  13
    C2       14.0300      0.0000    1   0  13
    CZ       14.0300      0.0000    1   0  13
    C3       15.0300      0.0000    1   0  13
    C3       15.0300      0.0000    1   0  13
    C        12.0100      0.5000    1   0  13
    O        16.0000     -0.5000    1   0  13
    N        14.0100     -0.5700    1   0  14
    H         1.0080      0.3700    1   0  14
    CH       13.0200      0.2000    1   0  14
    C2       14.0300      0.1150    1   0  14
    CK       12.0100     -0.1700    1   0  14
    CK       12.0100      0.0150    1   0  14
    HK        1.0080      0.1150    1   0  14
    NA       14.0100     -0.5700    1   0  14
    H         1.0080      0.4200    1   0  14
    CN       12.0100      0.1300    1   0  14
    CK       12.0100     -0.1150    1   0  14
    HK        1.0080      0.1150    1   0  14
    CK       12.0100     -0.1150    1   0  14
    HK        1.0080      0.1150    1   0  14
    CK       12.0100     -0.1150    1   0  14
    HK        1.0080      0.1150    1   0  14
    CK       12.0100     -0.1150    1   0  14
    HK        1.0080      0.1150    1   0  14
    CB       12.0100     -0.0550    1   0  14
    C        12.0100      0.5000    1   0  14
    O        16.0000     -0.5000    1   0  14
    N        14.0100     -0.5700    1   0  15
    H         1.0080      0.3700    1   0  15
    CH       13.0200      0.2000    1   0  15
    C2       14.0300      0.0000    1   0  15
    CZ       14.0300      0.0000    1   0  15
    C3       15.0300      0.0000    1   0  15
    C3       15.0300      0.0000    1   0  15
    C        12.0100      0.5000    1   0  15
    O        16.0000     -0.5000    1   0  15
    N        14.0100     -0.5700    1   0  16
    H         1.0080      0.3700    1   0  16
    CH       13.0200      0.2000    1   0  16
    C2       14.0300      0.1150    1   0  16
    CK       12.0100     -0.1700    1   0  16
    CK       12.0100      0.0150    1   0  16
    HK        1.0080      0.1150    1   0  16
    NA       14.0100     -0.5700    1   0  16
    H         1.0080      0.4200    1   0  16
    CN       12.0100      0.1300    1   0  16
    CK       12.0100     -0.1150    1   0  16
    HK        1.0080      0.1150    1   0  16
    CK       12.0100     -0.1150    1   0  16
    HK        1.0080      0.1150    1   0  16
    CK       12.0100     -0.1150    1   0  16
    HK        1.0080      0.1150    1   0  16
    CK       12.0100     -0.1150    1   0  16
    HK        1.0080      0.1150    1   0  16
    CB       12.0100     -0.0550    1   0  16
    C        12.0100      0.5000    1   0  16
    O        16.0000     -0.5000    1   0  16
    N        14.0100     -0.5700    1   0  17
    H         1.0080      0.3700    1   0  17
    C2       14.0300      0.2000    1   0  17
    C2       14.0300      0.2650    1   0  17
    OH       16.0000     -0.7000    1   0  17
    HO        1.0080      0.4350    1   0  17
    O        16.0000     -0.5000    1   0  18
    CS       12.0100      0.5000    1   0  18
    N        14.0100     -0.5700    1   0  19
    H         1.0080      0.3700    1   0  19
    CH       13.0200      0.2000    1   0  19
    CZ       14.0300      0.0000    1   0  19
    C3       15.0300      0.0000    1   0  19
    C3       15.0300      0.0000    1   0  19
    C        12.0100      0.5000    1   0  19
    O        16.0000     -0.5000    1   0  19
    N        14.0100     -0.5700    1   0  20
    H         1.0080      0.3700    1   0  20
    CQ       12.0100      0.2000    1   0  20
    C        12.0100      0.5000    1   0  20
    O        16.0000     -0.5000    1   0  20
    N        14.0100     -0.5700    1   0  21
    H         1.0080      0.3700    1   0  21
    CH       13.0200      0.2000    1   0  21
    C3       15.0300      0.0000    1   0  21
    C        12.0100      0.5000    1   0  21
    O        16.0000     -0.5000    1   0  21
    N        14.0100     -0.5700    1   0  22
    H         1.0080      0.3700    1   0  22
    CH       13.0200      0.2000    1   0  22
    C2       14.0300      0.0000    1   0  22
    CZ       14.0300      0.0000    1   0  22
    C3       15.0300      0.0000    1   0  22
    C3       15.0300      0.0000    1   0  22
    C        12.0100      0.5000    1   0  22
    O        16.0000     -0.5000    1   0  22
    N        14.0100     -0.5700    1   0  23
    H         1.0080      0.3700    1   0  23
    CH       13.0200      0.2000    1   0  23
    C3       15.0300      0.0000    1   0  23
    C        12.0100      0.5000    1   0  23
    O        16.0000     -0.5000    1   0  23
    N        14.0100     -0.5700    1   0  24
    H         1.0080      0.3700    1   0  24
    CH       13.0200      0.2000    1   0  24
    CZ       14.0300      0.0000    1   0  24
    C3       15.0300      0.0000    1   0  24
    C3       15.0300      0.0000    1   0  24
    C        12.0100      0.5000    1   0  24
    O        16.0000     -0.5000    1   0  24
    N        14.0100     -0.5700    1   0  25
    H         1.0080      0.3700    1   0  25
    CH       13.0200      0.2000    1   0  25
    CZ       14.0300      0.0000    1   0  25
    C3       15.0300      0.0000    1   0  25
    C3       15.0300      0.0000    1   0  25
    C        12.0100      0.5000    1   0  25
    O        16.0000     -0.5000    1   0  25
    N        14.0100     -0.5700    1   0  26
    H         1.0080      0.3700    1   0  26
    CH       13.0200      0.2000    1   0  26
    CZ       14.0300      0.0000    1   0  26
    C3       15.0300      0.0000    1   0  26
    C3       15.0300      0.0000    1   0  26
    C        12.0100      0.5000    1   0  26
    O        16.0000     -0.5000    1   0  26
    N        14.0100     -0.5700    1   0  27
    H         1.0080      0.3700    1   0  27
    CH       13.0200      0.2000    1   0  27
    C2       14.0300      0.1150    1   0  27
    CK       12.0100     -0.1700    1   0  27
    CK       12.0100      0.0150    1   0  27
    HK        1.0080      0.1150    1   0  27
    NA       14.0100     -0.5700    1   0  27
    H         1.0080      0.4200    1   0  27
    CN       12.0100      0.1300    1   0  27
    CK       12.0100     -0.1150    1   0  27
    HK        1.0080      0.1150    1   0  27
    CK       12.0100     -0.1150    1   0  27
    HK        1.0080      0.1150    1   0  27
    CK       12.0100     -0.1150    1   0  27
    HK        1.0080      0.1150    1   0  27
    CK       12.0100     -0.1150    1   0  27
    HK        1.0080      0.1150    1   0  27
    CB       12.0100     -0.0550    1   0  27
    C        12.0100      0.5000    1   0  27
    O        16.0000     -0.5000    1   0  27
    N        14.0100     -0.5700    1   0  28
    H         1.0080      0.3700    1   0  28
    CH       13.0200      0.2000    1   0  28
    C2       14.0300      0.0000    1   0  28
    CZ       14.0300      0.0000    1   0  28
    C3       15.0300      0.0000    1   0  28
    C3       15.0300      0.0000    1   0  28
    C        12.0100      0.5000    1   0  28
    O        16.0000     -0.5000    1   0  28
    N        14.0100     -0.5700    1   0  29
    H         1.0080      0.3700    1   0  29
    CH       13.0200      0.2000    1   0  29
    C2       14.0300      0.1150    1   0  29
    CK       12.0100     -0.1700    1   0  29
    CK       12.0100      0.0150    1   0  29
    HK        1.0080      0.1150    1   0  29
    NA       14.0100     -0.5700    1   0  29
    H         1.0080      0.4200    1   0  29
    CN       12.0100      0.1300    1   0  29
    CK       12.0100     -0.1150    1   0  29
    HK        1.0080      0.1150    1   0  29
    CK       12.0100     -0.1150    1   0  29
    HK        1.0080      0.1150    1   0  29
    CK       12.0100     -0.1150    1   0  29
    HK        1.0080      0.1150    1   0  29
    CK       12.0100     -0.1150    1   0  29
    HK        1.0080      0.1150    1   0  29
    CB       12.0100     -0.0550    1   0  29
    C        12.0100      0.5000    1   0  29
    O        16.0000     -0.5000    1   0  29
    N        14.0100     -0.5700    1   0  30
    H         1.0080      0.3700    1   0  30
    CH       13.0200      0.2000    1   0  30
    C2       14.0300      0.0000    1   0  30
    CZ       14.0300      0.0000    1   0  30
    C3       15.0300      0.0000    1   0  30
    C3       15.0300      0.0000    1   0  30
    C        12.0100      0.5000    1   0  30
    O        16.0000     -0.5000    1   0  30
    N        14.0100     -0.5700    1   0  31
    H         1.0080      0.3700    1   0  31
    CH       13.0200      0.2000    1   0  31
    C2       14.0300      0.1150    1   0  31
    CK       12.0100     -0.1700    1   0  31
    CK       12.0100      0.0150    1   0  31
    HK        1.0080      0.1150    1   0  31
    NA       14.0100     -0.5700    1   0  31
    H         1.0080      0.4200    1   0  31
    CN       12.0100      0.1300    1   0  31
    CK       12.0100     -0.1150    1   0  31
    HK        1.0080      0.1150    1   0  31
    CK       12.0100     -0.1150    1   0  31
    HK        1.0080      0.1150    1   0  31
    CK       12.0100     -0.1150    1   0  31
    HK        1.0080      0.1150    1   0  31
    CK       12.0100     -0.1150    1   0  31
    HK        1.0080      0.1150    1   0  31
    CB       12.0100     -0.0550    1   0  31
    C        12.0100      0.5000    1   0  31
    O        16.0000     -0.5000    1   0  31
    N        14.0100     -0.5700    1   0  32
    H         1.0080      0.3700    1   0  32
    CH       13.0200      0.2000    1   0  32
    C2       14.0300      0.0000    1   0  32
    CZ       14.0300      0.0000    1   0  32
    C3       15.0300      0.0000    1   0  32
    C3       15.0300      0.0000    1   0  32
    C        12.0100      0.5000    1   0  32
    O        16.0000     -0.5000    1   0  32
    N        14.0100     -0.5700    1   0  33
    H         1.0080      0.3700    1   0  33
    CH       13.0200      0.2000    1   0  33
    C2       14.0300      0.1150    1   0  33
    CK       12.0100     -0.1700    1   0  33
    CK       12.0100      0.0150    1   0  33
    HK        1.0080      0.1150    1   0  33
    NA       14.0100     -0.5700    1   0  33
    H         1.0080      0.4200    1   0  33
    CN       12.0100      0.1300    1   0  33
    CK       12.0100     -0.1150    1   0  33
    HK        1.0080      0.1150    1   0  33
    CK       12.0100     -0.1150    1   0  33
    HK        1.0080      0.1150    1   0  33
    CK       12.0100     -0.1150    1   0  33
    HK        1.0080      0.1150    1   0  33
    CK       12.0100     -0.1150    1   0  33
    HK        1.0080      0.1150    1   0  33
    CB       12.0100     -0.0550    1   0  33
    C        12.0100      0.5000    1   0  33
    O        16.0000     -0.5000    1   0  33
    N        14.0100     -0.5700    1   0  34
    H         1.0080      0.3700    1   0  34
    C2       14.0300      0.2000    1   0  34
    C2       14.0300      0.2650    1   0  34
    OH       16.0000     -0.7000    1   0  34
    HO        1.0080      0.4350    1   0  34
dihedrals 960
cos     1    2    3    4  1.702         0.               1.0    0.500000    0.125000
cos     2    5    3    4  1.000       180.0              2.0    0.000000    0.000000
cos     1    2    3    4  4.970       180.               2.0    0.000000    0.000000
cos     1    2    3    5  1.702       180.               1.0    0.500000    0.125000
cos     1    2    3    5  4.970       180.               2.0    0.000000    0.000000
cos     6    5    3    9 14.000       180.0              3.0    0.000000    0.000000
cos     2    3    5    6  0.000         0.0              3.0    0.500000    0.125000
cos     2    3    5    9  0.000         0.0              3.0    0.500000    0.125000
cos     4    3    5    6  0.000         0.0              3.0    0.500000    0.125000
cos     4    3    5    9  0.000         0.0              3.0    0.500000    0.125000
cos     7    6    5    8 14.000       180.0              3.0    0.000000    0.000000
cos     7    6    5    9  0.500         0.0              3.0    0.500000    0.125000
cos     8    6    5    9  0.500         0.0              3.0    0.500000    0.125000
cos     3    5    6    7  0.500         0.0              3.0    0.500000    0.125000
cos     3    5    6    8  0.500         0.0              3.0    0.500000    0.125000
cos     3    5    9   10  0.100       180.0              3.0    0.500000    0.125000
cos     5   11    9   10 10.500       180.0              2.0    0.000000    0.000000
cos     6    5    9   10  0.100       180.0              3.0    0.500000    0.125000
cos     3    5    9   11  0.000         0.0              2.0    0.500000    0.125000
cos     6    5    9   11  0.000         0.0              2.0    0.500000    0.125000
cos     5    9   11   12  2.500       180.0              2.0    0.500000    0.125000
cos     5    9   11   13  2.500       180.0              2.0    0.500000    0.125000
cos    10    9   11   12  2.500       180.0              2.0    0.500000    0.125000
cos    10    9   11   12  0.650         0.0              1.0    0.000000    0.000000
cos    10    9   11   13  2.500       180.0              2.0    0.500000    0.125000
cos     9   13   11   12  1.000       180.0              2.0    0.000000    0.000000
cos     9   11   13   14  0.000         0.0              3.0    0.500000    0.125000
cos    12   11   13   14  0.000         0.0              3.0    0.500000    0.125000
cos    11   13   14   15  0.200       180.0              3.0    0.500000    0.125000
cos    13   16   14   15 10.500       180.0              2.0    0.000000    0.000000
cos    11   13   14   16  0.000       180.0              3.0    0.500000    0.125000
cos    13   14   16   17  2.500       180.0              2.0    0.500000    0.125000
cos    13   14   16   18  2.500       180.0              2.0    0.500000    0.125000
cos    15   14   16   17  2.500       180.0              2.0    0.500000    0.125000
cos    15   14   16   17  0.650         0.0              1.0    0.000000    0.000000
cos    15   14   16   18  2.500       180.0              2.0    0.500000    0.125000
cos    14   18   16   17  1.000       180.0              2.0    0.000000    0.000000
cos    19   18   16   20 14.00        180.0              3.0    0.000000    0.000000
cos    14   16   18   19  0.000         0.0              3.0    0.500000    0.125000
cos    14   16   18   20  0.000         0.0              3.0    0.500000    0.125000
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cos   291  298  296  297 10.50        180.0              2.0    0.000000    0.000000
cos   292  291  289  296 14.00        180.0              3.0    0.000000    0.000000
cos   292  291  296  297  0.100       180.0              3.0    0.500000    0.125000
cos   293  292  291  296  1.000         0.0              3.0    0.500000    0.125000
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cos   296  300  298  299  1.000       180.0              2.0    0.000000    0.000000
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cos   300  301  302  303  0.000         0.0              2.0    0.500000    0.125000
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cos   300  319  317  318 10.50        180.0              2.0    0.000000    0.000000
cos   301  302  303  304  1.325       180.0              2.0    0.500000    0.125000
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cos   301  302  316  307  1.325       180.0              2.0    0.500000    0.125000
cos   301  302  316  314  1.325       180.0              2.0    0.500000    1.000000
cos   301  300  298  317 14.00        180.0              3.0    0.000000    0.000000
cos   301  300  317  318  0.100       180.0              3.0    0.500000    1.000000
cos   302  316  307  305  1.100       180.0              2.0    0.000000    0.000000
cos   302  303  305  306  1.400       180.0              2.0    0.500000    1.000000
cos   302  303  305  307  1.400       180.0              2.0    0.000000    0.000000
cos   302  316  307  308  1.100       180.0              2.0    0.500000    1.000000
cos   302  316  314  312  1.325       180.0              2.0    0.500000    1.000000
cos   302  316  314  315  1.325       180.0              2.0    0.500000    1.000000
cos   302  301  300  317  1.000         0.0              3.0    0.500000    1.000000
cos   303  307  305  306  1.000       180.0              2.0    0.000000    0.000000
cos   303  302  316  307  1.325       180.0              2.0    0.000000    0.000000
cos   303  305  307  308  1.525       180.0              2.0    0.500000    0.125000
cos   303  302  316  314  1.325       180.0              2.0    0.500000    0.125000
cos   303  305  307  316  1.525       180.0              2.0    0.000000    0.000000
cos   304  303  305  306  1.400       180.0              2.0    0.500000    0.125000
cos   304  303  305  307  1.400       180.0              2.0    0.500000    0.125000
cos   304  303  302  316  1.325       180.0              2.0    0.500000    0.125000
cos   305  307  308  309  1.325       180.0              2.0    0.500000    0.125000
cos   305  307  308  310  1.325       180.0              2.0    0.500000    0.125000
cos   305  307  316  314  1.100       180.0              2.0    0.500000    0.125000
cos   305  303  302  316  1.325       180.0              2.0    0.000000    0.000000
cos   306  305  307  308  1.525       180.0              2.0    0.500000    0.125000
cos   306  305  307  316  1.525       180.0              2.0    0.500000    0.125000
cos   307  310  308  309  1.000       180.0              2.0    0.000000    0.000000
cos   307  308  310  311  1.325       180.0              2.0    0.500000    0.125000
cos   307  316  314  312  1.325       180.0              2.0    0.500000    0.125000
cos   307  308  310  312  1.325       180.0              2.0    0.000000    0.000000
cos   307  316  314  315  1.325       180.0              2.0    0.500000    0.125000
cos   308  312  310  311  1.000       180.0              2.0    0.000000    0.000000
cos   308  310  312  313  1.325       180.0              2.0    0.500000    0.125000
cos   308  310  312  314  1.325       180.0              2.0    0.500000    0.125000
cos   308  307  316  314  1.100       180.0              2.0    0.000000    0.000000
cos   309  308  310  311  1.325       180.0              2.0    0.500000    0.125000
cos   309  308  310  312  1.325       180.0              2.0    0.500000    0.125000
cos   309  308  307  316  1.325       180.0              2.0    0.500000    0.125000
cos   310  314  312  313  2.000       180.0              2.0    0.000000    0.000000
cos   310  312  314  315  1.325       180.0              2.0    0.500000    0.125000
cos   310  308  307  316  1.325       180.0              2.0    0.500000    0.125000
cos   310  312  314  316  1.325       180.0              2.0    0.000000    0.000000
cos   311  310  312  313  1.325       180.0              2.0    0.500000    0.125000
cos   311  310  312  314  1.325       180.0              2.0    0.500000    0.125000
cos   312  316  314  315  2.000       180.0              2.0    0.000000    0.000000
cos   313  312  314  315  1.325       180.0              2.0    0.500000    0.125000
cos   313  312  314  316  1.325       180.0              2.0    0.500000    0.125000
cos   298  300  317  319  0.000         0.0              2.0    0.500000    0.125000
cos   301  300  317  319  0.000         0.0              2.0    0.500000    0.125000
cos   300  317  319  320  2.500       180.0              2.0    0.500000    0.125000
cos   300  317  319  321  2.500       180.0              2.0    0.500000    0.125000
cos   318  317  319  320  2.500       180.0              2.0    0.500000    0.125000
cos   318  317  319  320  0.650         0.0              1.0    0.000000    0.000000
cos   318  317  319  321  2.500       180.0              2.0    0.500000    0.125000
cos   317  319  321  322  0.000         0.0              3.0    0.500000    0.125000
cos   317  319  321  326  0.000         0.0              3.0    0.500000    0.125000
cos   317  321  319  320  1.000       180.0              2.0    0.000000    0.000000
cos   319  321  322  323  1.000         0.0              3.0    0.500000    0.125000
cos   319  321  326  327  0.100       180.0              3.0    0.500000    0.125000
cos   320  319  321  322  0.000         0.0              3.0    0.500000    0.125000
cos   320  319  321  326  0.000         0.0              3.0    0.500000    0.125000
cos   321  322  323  324  1.000         0.0              3.0    0.500000    0.125000
cos   321  322  323  325  1.000         0.0              3.0    0.500000    0.125000
cos   321  328  326  327 10.50        180.0              2.0    0.000000    0.000000
cos   322  321  319  326 14.00        180.0              3.0    0.000000    0.000000
cos   322  321  326  327  0.100       180.0              3.0    0.500000    0.125000
cos   323  322  321  326  1.000         0.0              3.0    0.500000    0.125000
cos   324  323  322  325 14.00        180.0              3.0    0.000000    0.000000
cos   319  321  326  328  0.000         0.0              2.0    0.500000    0.125000
cos   322  321  326  328  0.000         0.0              2.0    0.500000    0.125000
cos   321  326  328  329  2.500       180.0              2.0    0.500000    0.125000
cos   321  326  328  330  2.500       180.0              2.0    0.500000    0.125000
cos   327  326  328  329  2.500       180.0              2.0    0.500000    0.125000
cos   327  326  328  329  0.650         0.0              1.0    0.000000    0.000000
cos   327  326  328  330  2.500       180.0              2.0    0.500000    0.125000
cos   326  328  330  331  0.000         0.0              3.0    0.500000    0.125000
cos   326  328  330  347  0.000         0.0              3.0    0.500000    0.125000
cos   326  330  328  329  1.000       180.0              2.0    0.000000    0.000000
cos   328  330  331  332  1.000         0.0              3.0    0.500000    0.125000
cos   328  330  347  348  0.100       180.0              3.0    0.500000    0.125000
cos   329  328  330  331  0.000         0.0              3.0    0.500000    0.125000
cos   329  328  330  347  0.000         0.0              3.0    0.500000    0.125000
cos   330  331  332  333  0.000         0.0              2.0    0.500000    0.125000
cos   330  331  332  346  0.000         0.0              2.0    0.500000    0.125000
cos   330  349  347  348 10.50        180.0              2.0    0.000000    0.000000
cos   331  332  333  334  1.325       180.0              2.0    0.500000    0.125000
cos   331  332  333  335  1.325       180.0              2.0    0.500000    0.125000
cos   331  332  346  337  1.325       180.0              2.0    0.500000    0.125000
cos   331  332  346  344  1.325       180.0              2.0    0.500000    0.125000
cos   331  330  328  347 14.00        180.0              3.0    0.000000    0.000000
cos   331  330  347  348  0.100       180.0              3.0    0.500000    0.125000
cos   332  346  337  335  1.100       180.0              2.0    0.000000    0.000000
cos   332  333  335  336  1.400       180.0              2.0    0.500000    0.125000
cos   332  333  335  337  1.400       180.0              2.0    0.000000    0.000000
cos   332  346  337  338  1.100       180.0              2.0    0.500000    0.125000
cos   332  346  344  342  1.325       180.0              2.0    0.500000    0.125000
cos   332  346  344  345  1.325       180.0              2.0    0.500000    0.125000
cos   332  331  330  347  1.000         0.0              3.0    0.500000    0.125000
cos   333  337  335  336  1.000       180.0              2.0    0.000000    0.000000
cos   333  332  346  337  1.325       180.0              2.0    0.000000    0.000000
cos   333  335  337  338  1.525       180.0              2.0    0.500000    0.125000
cos   333  332  346  344  1.325       180.0              2.0    0.500000    0.125000
cos   333  335  337  346  1.525       180.0              2.0    0.000000    0.000000
cos   334  333  335  336  1.400       180.0              2.0    0.500000    0.125000
cos   334  333  335  337  1.400       180.0              2.0    0.500000    0.125000
cos   334  333  332  346  1.325       180.0              2.0    0.500000    0.125000
cos   335  337  338  339  1.325       180.0              2.0    0.500000    0.125000
cos   335  337  338  340  1.325       180.0              2.0    0.500000    0.125000
cos   335  337  346  344  1.100       180.0              2.0    0.500000    0.125000
cos   335  333  332  346  1.325       180.0              2.0    0.000000    0.000000
cos   336  335  337  338  1.525       180.0              2.0    0.500000    0.125000
cos   336  335  337  346  1.525       180.0              2.0    0.500000    0.125000
cos   337  340  338  339  2.000       180.0              2.0    0.000000    0.000000
cos   337  338  340  341  1.325       180.0              2.0    0.500000    0.125000
cos   337  346  344  342  1.325       180.0              2.0    0.500000    0.125000
cos   337  338  340  342  1.325       180.0              2.0    0.000000    0.000000
cos   337  346  344  345  1.325       180.0              2.0    0.500000    0.125000
cos   338  342  340  341  2.000       180.0              2.0    0.000000    0.000000
cos   338  340  342  343  1.325       180.0              2.0    0.500000    0.125000
cos   338  340  342  344  1.325       180.0              2.0    0.500000    0.125000
cos   338  337  346  344  1.100       180.0              2.0    0.000000    0.000000
cos   339  338  340  341  1.325       180.0              2.0    0.500000    0.125000
cos   339  338  340  342  1.325       180.0              2.0    0.500000    0.125000
cos   339  338  337  346  1.325       180.0              2.0    0.500000    0.125000
cos   340  344  342  343  2.000       180.0              2.0    0.000000    0.000000
cos   340  342  344  345  1.325       180.0              2.0    0.500000    0.125000
cos   340  338  337  346  1.325       180.0              2.0    0.500000    0.125000
cos   340  342  344  346  1.325       180.0              2.0    0.000000    0.000000
cos   341  340  342  343  1.325       180.0              2.0    0.500000    0.125000
cos   341  340  342  344  1.325       180.0              2.0    0.500000    0.125000
cos   342  346  344  345  2.000       180.0              2.0    0.000000    0.000000
cos   343  342  344  345  1.325       180.0              2.0    0.500000    0.125000
cos   343  342  344  346  1.325       180.0              2.0    0.500000    0.125000
cos   328  330  347  349  0.000         0.0              2.0    0.500000    0.125000
cos   331  330  347  349  0.000         0.0              2.0    0.500000    0.125000
cos   330  347  349  350  2.500       180.0              2.0    0.500000    0.125000
cos   330  347  349  351  2.500       180.0              2.0    0.500000    0.125000
cos   348  347  349  350  2.500       180.0              2.0    0.500000    0.125000
cos   348  347  349  350  0.650         0.0              1.0    0.000000    0.000000
cos   348  347  349  351  2.500       180.0              2.0    0.500000    0.125000
cos   347  349  351  352  0.000         0.0              3.0    0.500000    0.125000
cos   347  351  349  350  1.000       180.0              2.0    0.000000    0.000000
cos   349  351  352  353  2.000         0.0              3.0    0.500000    0.125000
cos   350  349  351  352  0.000         0.0              3.0    0.500000    0.125000
cos   351  352  353  354  0.500         0.0              3.0    0.500000    0.125000
bonds 286
harm    2    1      1140.0   1.229       
harm    3    2       980.0   1.335      
harm    5    3       674.0   1.449   
harm    6    5       520.0   1.526        
harm    7    6       520.0   1.526       
harm    8    6       520.0   1.526      
harm    9    5       634.0   1.522      
harm   10    9      1140.0   1.229          
harm   11    9       980.0   1.335         
harm   13   11       674.0   1.449      
harm   14   13       634.0   1.522      
harm   15   14      1140.0   1.229          
harm   16   14       980.0   1.335         
harm   18   16       674.0   1.449 
harm   19   18       520.0   1.526
harm   20   18       634.0   1.522
harm   21   20      1140.0   1.229  
harm   22   20       980.0   1.335 
harm   24   22       674.0   1.449
harm   25   24       520.0   1.526
harm   26   25       520.0   1.526
harm   27   26       520.0   1.526
harm   28   26       520.0   1.526     
harm   29   24       634.0   1.522 
harm   30   29      1140.0   1.229    
harm   31   29       980.0   1.335         
harm   33   31       674.0   1.449      
harm   34   33       520.0   1.526     
harm   35   33       634.0   1.522     
harm   36   35      1140.0   1.229         
harm   37   35       980.0   1.335        
harm   39   37       674.0   1.449     
harm   40   39       520.0   1.526    
harm   41   40       520.0   1.526   
harm   42   40       520.0   1.526        
harm   43   39       634.0   1.522       
harm   44   43      1140.0   1.229      
harm   45   43       980.0   1.335      
harm   47   45       674.0   1.449         
harm   48   47       520.0   1.526        
harm   49   48       520.0   1.526       
harm   50   48       520.0   1.526      
harm   51   47       634.0   1.522      
harm   52   51      1140.0   1.229          
harm   53   51       980.0   1.335         
harm   55   53       674.0   1.449      
harm   56   55       520.0   1.526     
harm   57   56       520.0   1.526          
harm   58   56       520.0   1.526         
harm   59   55       634.0   1.522         
harm   60   59      1140.0   1.229        
harm   61   59       980.0   1.335       
harm   63   61       674.0   1.449         
harm   64   63       520.0   1.526        
harm   65   64       634.0   1.510       
harm   66   65       938.0   1.400      
harm   65   79       776.0   1.459
harm   68   66       844.0   1.385          
harm   70   68       856.0   1.380        
harm   71   70       938.0   1.400       
harm   70   79       894.0   1.419
harm   73   71       938.0   1.400     
harm   75   73       938.0   1.400        
harm   77   75       938.0   1.400      
harm   79   77       776.0   1.459    
harm   80   63       634.0   1.522         
harm   81   80      1140.0   1.229        
harm   82   80       980.0   1.335     
harm   84   82       674.0   1.449    
harm   85   84       520.0   1.526        
harm   86   85       520.0   1.526     
harm   87   86       520.0   1.526    
harm   88   86       520.0   1.526    
harm   89   84       634.0   1.522    
harm   90   89      1140.0   1.229   
harm   91   89       980.0   1.335        
harm   93   91       674.0   1.449       
harm   94   93       520.0   1.526      
harm   95   94       634.0   1.510     
harm  109   95       776.0   1.459
harm   96   95       938.0   1.400       
harm   98   96       844.0   1.385       
harm  100   98       856.0   1.380     
harm  101  100       938.0   1.400         
harm  100  109       894.0   1.419
harm  103  101       938.0   1.400       
harm  105  103       938.0   1.400     
harm  107  105       938.0   1.400        
harm  109  107       776.0   1.459      
harm  110   93       634.0   1.522      
harm  111  110      1140.0   1.229     
harm  112  110       980.0   1.335         
harm  114  112       674.0   1.449      
harm  115  114       520.0   1.526     
harm  116  115       520.0   1.526   
harm  117  116       520.0   1.526   
harm  118  116       520.0   1.526    
harm  119  114       634.0   1.522        
harm  120  119      1140.0   1.229       
harm  121  119       980.0   1.335          
harm  123  121       674.0   1.449       
harm  124  123       520.0   1.526      
harm  125  124       634.0   1.510     
harm  126  125       938.0   1.400         
harm  128  126       844.0   1.385     
harm  130  128       856.0   1.380     
harm  130  139       894.0   1.419
harm  131  130       938.0   1.400   
harm  133  131       938.0   1.400       
harm  135  133       938.0   1.400   
harm  137  135       938.0   1.400        
harm  139  137       776.0   1.459      
harm  139  125       776.0   1.459
harm  140  123       634.0   1.522      
harm  141  140      1140.0   1.229   
harm  142  140       980.0   1.335      
harm  144  142       674.0   1.449
harm  145  144       520.0   1.526   
harm  146  145       520.0   1.526    
harm  147  146       520.0   1.526         
harm  148  146       520.0   1.526       
harm  149  144       634.0   1.522        
harm  150  149      1140.0   1.229       
harm  151  149       980.0   1.335      
harm  153  151       674.0   1.449        
harm  154  153       520.0   1.526       
harm  155  154       634.0   1.510      
harm  155  169       776.0   1.459
harm  156  155       938.0   1.400     
harm  158  156       844.0   1.385        
harm  160  158       856.0   1.380      
harm  160  169       894.0   1.419
harm  161  160       938.0   1.400     
harm  163  161       938.0   1.400        
harm  165  163       938.0   1.400      
harm  167  165       938.0   1.400         
harm  169  167       776.0   1.459       
harm  170  153       634.0   1.522       
harm  171  170      1140.0   1.229      
harm  172  170       980.0   1.335     
harm  174  172       674.0   1.449       
harm  175  174       520.0   1.526       
harm  176  175       772.0   1.425      
harm  178  179      1140.0   1.229 
harm  179  180       980.0   1.335 
harm  180  182       674.0   1.449
harm  182  183       520.0   1.526
harm  182  186       634.0   1.522 
harm  183  184       520.0   1.526
harm  183  185       520.0   1.526
harm  186  187      1140.0   1.229 
harm  186  188       980.0   1.335 
harm  188  190       674.0   1.449
harm  190  191       634.0   1.522  
harm  191  192      1140.0   1.229 
harm  191  193       980.0   1.335 
harm  193  195       674.0   1.449 
harm  195  196       520.0   1.526
harm  195  197       634.0   1.522
harm  197  198      1140.0   1.229 
harm  197  199       980.0   1.335 
harm  199  201       674.0   1.449
harm  201  202       520.0   1.526
harm  201  206       634.0   1.522 
harm  202  203       520.0   1.526
harm  203  204       520.0   1.526
harm  203  205       520.0   1.526
harm  206  207      1140.0   1.229 
harm  206  208       980.0   1.335 
harm  208  210       674.0   1.449
harm  210  211       520.0   1.526
harm  210  212       634.0   1.522 
harm  212  213      1140.0   1.229 
harm  212  214       980.0   1.335 
harm  214  216       674.0   1.449
harm  216  217       520.0   1.526
harm  216  220       634.0   1.522 
harm  217  218       520.0   1.526
harm  217  219       520.0   1.526
harm  220  221      1140.0   1.229 
harm  220  222       980.0   1.335 
harm  222  224       674.0   1.449
harm  224  225       520.0   1.526
harm  224  228       634.0   1.522 
harm  225  226       520.0   1.526
harm  225  227       520.0   1.526
harm  228  229      1140.0   1.229 
harm  228  230       980.0   1.335 
harm  230  232       674.0   1.449
harm  232  233       520.0   1.526
harm  232  236       634.0   1.522 
harm  233  234       520.0   1.526
harm  233  235       520.0   1.526
harm  236  237      1140.0   1.229 
harm  236  238       980.0   1.335 
harm  238  240       674.0   1.449
harm  240  241       520.0   1.526
harm  240  257       634.0   1.522 
harm  241  242       634.0   1.510
harm  242  243       938.0   1.400
harm  242  256       776.0   1.459
harm  243  245       844.0   1.385
harm  245  247       856.0   1.380
harm  247  248       938.0   1.400
harm  247  256       894.0   1.419
harm  248  250       938.0   1.400
harm  250  252       938.0   1.400
harm  252  254       938.0   1.400
harm  254  256       776.0   1.459
harm  257  258      1140.0   1.229
harm  257  259       980.0   1.335 
harm  259  261       674.0   1.449
harm  261  262       520.0   1.526
harm  261  266       634.0   1.522 
harm  262  263       520.0   1.526
harm  263  264       520.0   1.526
harm  263  265       520.0   1.526
harm  266  267      1140.0   1.229 
harm  266  268       980.0   1.335 
harm  268  270       674.0   1.449
harm  270  271       520.0   1.526
harm  270  287       634.0   1.522 
harm  271  272       634.0   1.510
harm  272  273       938.0   1.400
harm  272  286       776.0   1.459
harm  273  275       844.0   1.385
harm  275  277       856.0   1.380
harm  277  278       938.0   1.400
harm  277  286       894.0   1.419
harm  278  280       938.0   1.400
harm  280  282       938.0   1.400
harm  282  284       938.0   1.400
harm  284  286       776.0   1.459
harm  287  288      1140.0   1.229 
harm  287  289       980.0   1.335 
harm  289  291       674.0   1.449
harm  291  292       520.0   1.526
harm  291  296       634.0   1.522 
harm  292  293       520.0   1.526
harm  293  294       520.0   1.526
harm  293  295       520.0   1.526
harm  296  297      1140.0   1.229
harm  296  298       980.0   1.335
harm  298  300       674.0   1.449
harm  300  301       520.0   1.526
harm  300  317       634.0   1.522 
harm  301  302       634.0   1.510
harm  302  303       938.0   1.400
harm  302  316       776.0   1.459
harm  303  305       844.0   1.385
harm  305  307       856.0   1.380
harm  307  308       938.0   1.400  
harm  307  316       894.0   1.419
harm  308  310       938.0   1.400
harm  310  312       938.0   1.400
harm  312  314       938.0   1.400
harm  314  316       776.0   1.459
harm  317  318      1140.0   1.229 
harm  317  319       980.0   1.335 
harm  319  321       674.0   1.449
harm  321  322       520.0   1.526
harm  321  326       634.0   1.522 
harm  322  323       520.0   1.526
harm  323  324       520.0   1.526
harm  323  325       520.0   1.526
harm  326  327      1140.0   1.229
harm  326  328       980.0   1.335 
harm  328  330       674.0   1.449
harm  330  331       520.0   1.526
harm  330  347       634.0   1.522
harm  331  332       634.0   1.510
harm  332  333       938.0   1.400
harm  332  346       776.0   1.459
harm  333  335       844.0   1.385
harm  335  337       856.0   1.380
harm  337  338       938.0   1.400
harm  337  346       894.0   1.419
harm  338  340       938.0   1.400
harm  340  342       938.0   1.400
harm  342  344       938.0   1.400
harm  344  346       776.0   1.459
harm  347  348      1140.0   1.229
harm  347  349       980.0   1.335
harm  349  351       674.0   1.449
harm  351  352       520.0   1.526
harm  352  353       772.0   1.425
constraints 82
    3    4    1.010
   11   12    1.010
   16   17    1.010
   22   23    1.010
   31   32    1.010
   37   38    1.010
   45   46    1.010
   53   54    1.010
   61   62    1.010
   66   67    1.080
   68   69    1.010
   71   72    1.080
   73   74    1.080
   75   76    1.080
   77   78    1.080
   82   83    1.010
   91   92    1.010
   96   97    1.080
   98   99    1.010
  101  102    1.080
  103  104    1.080
  105  106    1.080
  107  108    1.080
  112  113    1.010
  121  122    1.010
  126  127    1.080
  128  129    1.010
  131  132    1.080
  133  134    1.080
  135  136    1.080
  137  138    1.080
  142  143    1.010
  151  152    1.010
  156  157    1.080
  158  159    1.010
  161  162    1.080
  163  164    1.080
  165  166    1.080
  167  168    1.080
  172  173    1.010
  176  177    0.960
  180  181    1.010
  188  189    1.010
  193  194    1.010
  199  200    1.010
  208  209    1.010
  214  215    1.010
  222  223    1.010
  230  231    1.010
  238  239    1.010
  243  244    1.080
  245  246    1.010
  248  249    1.080
  250  251    1.080
  252  253    1.080
  254  255    1.080
  259  260    1.010
  268  269    1.010
  273  274    1.080
  275  276    1.010
  278  279    1.080
  280  281    1.080
  282  283    1.080
  284  285    1.080
  289  290    1.010
  298  299    1.010
  303  304    1.080
  305  306    1.010
  308  309    1.080
  310  311    1.080
  312  313    1.080
  314  315    1.080
  319  320    1.010
  328  329    1.010
  333  334    1.080
  335  336    1.010
  338  339    1.080
  340  341    1.080
  342  343    1.080
  344  345    1.080
  349  350    1.010
  353  354    0.960
angles 560
harm    1    2    3  160.0     122.90  
harm    2    3    4   70.0     119.80  
harm    2    3    5  100.0     121.90  
harm    4    3    5   76.0     118.40
harm    3    5    6  160.0     109.70  
harm    3    5    9  126.0     110.10  
harm    6    5    9  126.0     111.10
harm    5    6    7  126.0     111.50  
harm    5    6    8  126.0     111.50  
harm    7    6    8  126.0     111.50
harm    5    9   10  160.0     120.40  
harm    5    9   11  140.0     116.60  
harm   10    9   11  160.0     122.90  
harm    9   11   12   70.0     119.80  
harm    9   11   13  100.0     121.90  
harm   12   11   13   76.0     118.40
harm   11   13   14  160.0     110.30  
harm   13   14   15  160.0     120.40  
harm   13   14   16  140.0     116.60  
harm   15   14   16  160.0     122.90  
harm   14   16   17   70.0     119.80  
harm   14   16   18  100.0     121.90  
harm   17   16   18   76.0     118.40
harm   16   18   19  160.0     109.50  
harm   16   18   20  126.0     110.10  
harm   19   18   20  126.0     111.10
harm   18   20   21  160.0     120.40  
harm   18   20   22  140.0     116.60  
harm   21   20   22  160.0     122.90  
harm   20   22   23   70.0     119.80  
harm   20   22   24  100.0     121.90  
harm   23   22   24   76.0     118.40
harm   22   24   25  160.0     109.70  
harm   22   24   29  126.0     110.10  
harm   25   24   29  126.0     111.10
harm   24   25   26  126.0     112.40  
harm   25   26   27  126.0     111.50  
harm   25   26   28  126.0     111.50  
harm   27   26   28  126.0     111.50  
harm   24   29   30  160.0     120.40
harm   24   29   31  140.0     116.60  
harm   30   29   31  160.0     122.90  
harm   29   31   32   70.0     119.80  
harm   29   31   33  100.0     121.90  
harm   32   31   33   76.0     118.40
harm   31   33   34  160.0     109.50  
harm   31   33   35  126.0     110.10  
harm   34   33   35  126.0     111.10
harm   33   35   36  160.0     120.40  
harm   33   35   37  140.0     116.60  
harm   36   35   37  160.0     122.90  
harm   35   37   38   70.0     119.80  
harm   35   37   39  100.0     121.90  
harm   37   39   40  160.0     109.70  
harm   37   39   43  126.0     110.10  
harm   38   37   39   76.0     118.40  
harm   39   40   41  126.0     111.50  
harm   39   40   42  126.0     111.50  
harm   39   43   44  160.0     120.40  
harm   40   39   43  126.0     111.10  
harm   41   40   42  126.0     111.50  
harm   39   43   45  140.0     116.60  
harm   44   43   45  160.0     122.90  
harm   43   45   46   70.0     119.80  
harm   43   45   47  100.0     121.90  
harm   45   47   48  160.0     109.70  
harm   45   47   51  126.0     110.10  
harm   46   45   47   76.0     118.40  
harm   47   48   49  126.0     111.50  
harm   47   48   50  126.0     111.50  
harm   47   51   52  160.0     120.40  
harm   48   47   51  126.0     111.10  
harm   49   48   50  126.0     111.50  
harm   47   51   53  140.0     116.60  
harm   52   51   53  160.0     122.90  
harm   51   53   54   70.0     119.80  
harm   51   53   55  100.0     121.90  
harm   53   55   56  160.0     109.70  
harm   53   55   59  126.0     110.10  
harm   54   53   55   76.0     118.40  
harm   55   56   57  126.0     111.50  
harm   55   56   58  126.0     111.50  
harm   55   59   60  160.0     120.40  
harm   56   55   59  126.0     111.10  
harm   57   56   58  126.0     111.50  
harm   55   59   61  140.0     116.60  
harm   60   59   61  160.0     122.90  
harm   59   61   62   70.0     119.80  
harm   59   61   63  100.0     121.90  
harm   61   63   64  160.0     109.70  
harm   61   63   80  126.0     110.10  
harm   62   61   63   76.0     118.40  
harm   63   64   65  126.0     114.00  
harm   63   80   81  160.0     120.40  
harm   64   65   66  140.0     120.00  
harm   64   65   79  140.0     128.60  
harm   64   63   80  126.0     111.10  
harm   65   66   67   70.0     120.00  
harm   65   66   68  140.0     108.75  
harm   65   79   70  170.0     116.20  
harm   65   79   77  170.0     134.90  
harm   66   68   69   70.0     126.35  
harm   66   68   70  140.0     111.60  
harm   66   65   79  170.0     120.00  
harm   67   66   68   70.0     120.00  
harm   68   70   71  140.0     132.80  
harm   68   70   79  140.0     104.40  
harm   69   68   70   70.0     124.20  
harm   70   71   72   70.0     120.00  
harm   70   71   73  170.0     120.00  
harm   70   79   77  170.0     116.20  
harm   71   73   74   70.0     120.00  
harm   71   73   75  170.0     120.00  
harm   71   70   79  170.0     122.70  
harm   72   71   73   70.0     120.00  
harm   73   75   76   70.0     120.00  
harm   73   75   77  170.0     120.00  
harm   74   73   75   70.0     120.00  
harm   75   77   78   70.0     120.00  
harm   75   77   79  170.0     120.00  
harm   76   75   77   70.0     120.00  
harm   78   77   79   70.0     120.00  
harm   63   80   82  140.0     116.60  
harm   81   80   82  160.0     122.90  
harm   80   82   83   70.0     119.80  
harm   80   82   84  100.0     121.90  
harm   82   84   85  160.0     109.70  
harm   82   84   89  126.0     110.10  
harm   83   82   84   76.0     118.40  
harm   84   85   86  126.0     112.40  
harm   84   89   90  160.0     120.40  
harm   85   86   87  126.0     111.50  
harm   85   86   88  126.0     111.50  
harm   85   84   89  126.0     111.10  
harm   87   86   88  126.0     111.50  
harm   84   89   91  140.0     116.60  
harm   90   89   91  160.0     122.90  
harm   89   91   92   70.0     119.80  
harm   89   91   93  100.0     121.90  
harm   91   93   94  160.0     109.70  
harm   91   93  110  126.0     110.10  
harm   92   91   93   76.0     118.40  
harm   93   94   95  126.0     114.00  
harm   93  110  111  160.0     120.40  
harm   94   95   96  140.0     120.00  
harm   94   95  109  140.0     128.60  
harm   94   93  110  126.0     111.10  
harm   95   96   97   70.0     120.00  
harm   95   96   98  140.0     108.75  
harm   95  109  100  170.0     116.20  
harm   95  109  107  170.0     134.90  
harm   96   98   99   70.0     126.35  
harm   96   98  100  140.0     111.60  
harm   96   95  109  170.0     120.00  
harm   97   96   98   70.0     120.00  
harm   98  100  101  140.0     132.80  
harm   98  100  109  140.0     104.40  
harm   99   98  100   70.0     124.20  
harm  100  101  102   70.0     120.00  
harm  100  101  103  170.0     120.00  
harm  100  109  107  170.0     116.20  
harm  101  103  104   70.0     120.00  
harm  101  103  105  170.0     120.00  
harm  101  100  109  170.0     122.70  
harm  102  101  103   70.0     120.00  
harm  103  105  106   70.0     120.00  
harm  103  105  107  170.0     120.00  
harm  104  103  105   70.0     120.00  
harm  105  107  108   70.0     120.00  
harm  105  107  109  170.0     120.00  
harm  106  105  107   70.0     120.00  
harm  108  107  109   70.0     120.00  
harm   93  110  112  140.0     116.60  
harm  111  110  112  160.0     122.90  
harm  110  112  113   70.0     119.80  
harm  110  112  114  100.0     121.90  
harm  112  114  115  160.0     109.70  
harm  112  114  119  126.0     110.10  
harm  113  112  114   76.0     118.40  
harm  114  115  116  126.0     112.40  
harm  114  119  120  160.0     120.40  
harm  115  116  117  126.0     111.50  
harm  115  116  118  126.0     111.50  
harm  115  114  119  126.0     111.10  
harm  117  116  118  126.0     111.50  
harm  114  119  121  140.0     116.60  
harm  120  119  121  160.0     122.90  
harm  119  121  122   70.0     119.80  
harm  119  121  123  100.0     121.90  
harm  121  123  124  160.0     109.70  
harm  121  123  140  126.0     110.10  
harm  122  121  123   76.0     118.40  
harm  123  124  125  126.0     114.00  
harm  123  140  141  160.0     120.40  
harm  124  125  126  140.0     120.00  
harm  124  125  139  140.0     128.60  
harm  124  123  140  126.0     111.10  
harm  125  126  127   70.0     120.00  
harm  125  126  128  140.0     108.75  
harm  125  139  130  170.0     116.20  
harm  125  139  137  170.0     134.90  
harm  126  128  129   70.0     126.35  
harm  126  128  130  140.0     111.60  
harm  126  125  139  170.0     120.00  
harm  127  126  128   70.0     120.00  
harm  128  130  131  140.0     132.80  
harm  128  130  139  140.0     104.40  
harm  129  128  130   70.0     124.20  
harm  130  131  132   70.0     120.00  
harm  130  131  133  170.0     120.00  
harm  130  139  137  170.0     116.20  
harm  131  133  134   70.0     120.00  
harm  131  133  135  170.0     120.00  
harm  131  130  139  170.0     122.70  
harm  132  131  133   70.0     120.00  
harm  133  135  136   70.0     120.00  
harm  133  135  137  170.0     120.00  
harm  134  133  135   70.0     120.00  
harm  135  137  138   70.0     120.00  
harm  135  137  139  170.0     120.00  
harm  136  135  137   70.0     120.00  
harm  138  137  139   70.0     120.00  
harm  123  140  142  140.0     116.60  
harm  141  140  142  160.0     122.90  
harm  140  142  143   70.0     119.80  
harm  140  142  144  100.0     121.90  
harm  142  144  145  160.0     109.70  
harm  142  144  149  126.0     110.10  
harm  143  142  144   76.0     118.40  
harm  144  145  146  126.0     112.40  
harm  144  149  150  160.0     120.40  
harm  145  146  147  126.0     111.50  
harm  145  146  148  126.0     111.50  
harm  145  144  149  126.0     111.10  
harm  147  146  148  126.0     111.50  
harm  144  149  151  140.0     116.60  
harm  150  149  151  160.0     122.90  
harm  149  151  152   70.0     119.80  
harm  149  151  153  100.0     121.90  
harm  151  153  154  160.0     109.70  
harm  151  153  170  126.0     110.10  
harm  152  151  153   76.0     118.40  
harm  153  154  155  126.0     114.00  
harm  153  170  171  160.0     120.40  
harm  154  155  156  140.0     120.00  
harm  154  155  169  140.0     128.60  
harm  154  153  170  126.0     111.10  
harm  155  156  157   70.0     120.00  
harm  155  156  158  140.0     108.75  
harm  155  169  160  170.0     116.20  
harm  155  169  167  170.0     134.90  
harm  156  158  159   70.0     126.35  
harm  156  158  160  140.0     111.60  
harm  156  155  169  170.0     120.00  
harm  157  156  158   70.0     120.00  
harm  158  160  161  140.0     132.80  
harm  158  160  169  140.0     104.40  
harm  159  158  160   70.0     124.20  
harm  160  161  162   70.0     120.00  
harm  160  161  163  170.0     120.00  
harm  160  169  167  170.0     116.20  
harm  161  163  164   70.0     120.00  
harm  161  163  165  170.0     120.00  
harm  161  160  169  170.0     122.70  
harm  162  161  163   70.0     120.00  
harm  163  165  166   70.0     120.00  
harm  163  165  167  170.0     120.00  
harm  164  163  165   70.0     120.00  
harm  165  167  168   70.0     120.00  
harm  165  167  169  170.0     120.00  
harm  166  165  167   70.0     120.00  
harm  168  167  169   70.0     120.00  
harm  153  170  172  140.0     116.60  
harm  171  170  172  160.0     122.90  
harm  170  172  173   70.0     119.80  
harm  170  172  174  100.0     121.90  
harm  172  174  175  160.0     111.20  
harm  173  172  174   76.0     118.40  
harm  174  175  176  160.0     109.50  
harm  175  176  177  110.0     108.50  
harm  178  179  180  160.0     122.90  
harm  179  180  181   70.0     119.80  
harm  179  180  182  100.0     121.90  
harm  180  182  183  160.0     109.70  
harm  180  182  186  126.0     110.10  
harm  181  180  182   76.0     118.40  
harm  182  183  184  126.0     111.50  
harm  182  183  185  126.0     111.50  
harm  182  186  187  160.0     120.40  
harm  183  182  186  126.0     111.10  
harm  184  183  185  126.0     111.50  
harm  182  186  188  140.0     116.60  
harm  187  186  188  160.0     122.90  
harm  186  188  189   70.0     119.80  
harm  186  188  190  100.0     121.90  
harm  188  190  191  160.0     110.30  
harm  189  188  190   76.0     118.40  
harm  190  191  192  160.0     120.40  
harm  190  191  193  140.0     116.60  
harm  192  191  193  160.0     122.90  
harm  191  193  194   70.0     119.80  
harm  191  193  195  100.0     121.90  
harm  193  195  196  160.0     109.50  
harm  193  195  197  126.0     110.10  
harm  194  193  195   76.0     118.40  
harm  195  197  198  160.0     120.40  
harm  196  195  197  126.0     111.10  
harm  195  197  199  140.0     116.60  
harm  198  197  199  160.0     122.90  
harm  197  199  200   70.0     119.80  
harm  197  199  201  100.0     121.90  
harm  199  201  202  160.0     109.70  
harm  199  201  206   126.0    110.10  
harm  200  199  201   76.0     118.40  
harm  201  202  203  126.0     112.40  
harm  201  206  207  160.0     120.40  
harm  202  203  204  126.0     111.50  
harm  202  203  205  126.0     111.50  
harm  202  201  206  126.0     111.10  
harm  204  203  205  126.0     111.50  
harm  201  206  208  140.0     116.60  
harm  207  206  208  160.0     122.90  
harm  206  208  209   70.0     119.80  
harm  206  208  210  100.0     121.90  
harm  208  210  211  160.0     109.50  
harm  208  210  212  126.0     110.10  
harm  209  208  210   76.0     118.40  
harm  210  212  213  160.0     120.40  
harm  211  210  212  126.0     111.10  
harm  210  212  214  140.0     116.60  
harm  213  212  214  160.0     122.90  
harm  212  214  215   70.0     119.80  
harm  212  214  216  100.0     121.90  
harm  214  216  217  160.0     109.70  
harm  214  216  220  126.0     110.10  
harm  215  214  216   76.0     118.40  
harm  216  217  218  126.0     111.50  
harm  216  217  219  126.0     111.50  
harm  216  220  221  160.0     120.40  
harm  217  216  220  126.0     111.10  
harm  218  217  219  126.0     111.50  
harm  216  220  222  140.0     116.60  
harm  221  220  222  160.0     122.90  
harm  220  222  223   70.0     119.80  
harm  220  222  224  100.0     121.90  
harm  222  224  225  160.0     109.70  
harm  222  224  228  126.0     110.10  
harm  223  222  224   76.0     118.40  
harm  224  225  226  126.0     111.50  
harm  224  225  227  126.0     111.50  
harm  224  228  229  160.0     120.40  
harm  225  224  228  126.0     111.10  
harm  226  225  227  126.0     111.50  
harm  224  228  230  140.0     116.60  
harm  229  228  230  160.0     122.90  
harm  228  230  231   70.0     119.80  
harm  228  230  232  100.0     121.90  
harm  230  232  233  160.0     109.70  
harm  230  232  236  126.0     110.10  
harm  231  230  232   76.0     118.40  
harm  232  233  234  126.0     111.50  
harm  232  233  235  126.0     111.50  
harm  232  236  237  160.0     120.40  
harm  233  232  236  126.0     111.10  
harm  234  233  235  126.0     111.50  
harm  232  236  238  140.0     116.60  
harm  237  236  238  160.0     122.90  
harm  236  238  239   70.0     119.80  
harm  236  238  240  100.0     121.90  
harm  238  240  241  160.0     109.70  
harm  238  240  257  126.0     110.10  
harm  239  238  240   76.0     118.40  
harm  240  241  242  126.0     114.00  
harm  240  257  258  160.0     120.40  
harm  241  242  243  140.0     120.00  
harm  241  242  256  140.0     128.60  
harm  241  240  257  126.0     111.10  
harm  242  243  244   70.0     120.00  
harm  242  243  245  140.0     108.75  
harm  242  256  247  170.0     116.20  
harm  242  256  254  170.0     134.90  
harm  243  245  246   70.0     126.35  
harm  243  245  247  140.0     111.60  
harm  243  242  256  170.0     120.00  
harm  244  243  245   70.0     120.00  
harm  245  247  248  140.0     132.80  
harm  245  247  256  140.0     104.40  
harm  246  245  247   70.0     124.20  
harm  247  248  249   70.0     120.00  
harm  247  248  250  170.0     120.00  
harm  247  256  254  170.0     116.20  
harm  248  250  251   70.0     120.00  
harm  248  250  252  170.0     120.00  
harm  248  247  256  170.0     122.70  
harm  249  248  250   70.0     120.00  
harm  250  252  253   70.0     120.00  
harm  250  252  254  170.0     120.00  
harm  251  250  252   70.0     120.00  
harm  252  254  255   70.0     120.00  
harm  252  254  256  170.0     120.00  
harm  253  252  254   70.0     120.00  
harm  255  254  256   70.0     120.00  
harm  240  257  259  140.0     116.60  
harm  258  257  259  160.0     122.90  
harm  257  259  260   70.0     119.80  
harm  257  259  261  100.0     121.90  
harm  259  261  262  160.0     109.70  
harm  259  261  266  126.0     110.10  
harm  260  259  261   76.0     118.40  
harm  261  262  263  126.0     112.40  
harm  261  266  267  160.0     120.40  
harm  262  263  264  126.0     111.50  
harm  262  263  265  126.0     111.50  
harm  262  261  266  126.0     111.10  
harm  264  263  265  126.0     111.50  
harm  261  266  268  140.0     116.60  
harm  267  266  268  160.0     122.90  
harm  266  268  269   70.0     119.80  
harm  266  268  270  100.0     121.90  
harm  268  270  271  160.0     109.70  
harm  268  270  287  126.0     110.10  
harm  269  268  270   76.0     118.40  
harm  270  271  272  126.0     114.00  
harm  270  287  288  160.0     120.40  
harm  271  272  273  140.0     120.00  
harm  271  272  286  140.0     128.60  
harm  271  270  287  126.0     111.10  
harm  272  273  274   70.0     120.00  
harm  272  273  275  140.0     108.75  
harm  272  286  277  170.0     116.20  
harm  272  286  284  170.0     134.90  
harm  273  275  276   70.0     126.35  
harm  273  275  277  140.0     111.60  
harm  273  272  286  170.0     120.00  
harm  274  273  275   70.0     120.00  
harm  275  277  278  140.0     132.80  
harm  275  277  286  140.0     104.40  
harm  276  275  277   70.0     124.20  
harm  277  278  279   70.0     120.00  
harm  277  278  280  170.0     120.00  
harm  277  286  284  170.0     116.20  
harm  278  280  281   70.0     120.00  
harm  278  280  282  170.0     120.00  
harm  278  277  286  170.0     122.70  
harm  279  278  280   70.0     120.00  
harm  280  282  283   70.0     120.00  
harm  280  282  284  170.0     120.00  
harm  281  280  282   70.0     120.00  
harm  282  284  285   70.0     120.00  
harm  282  284  286  170.0     120.00  
harm  283  282  284   70.0     120.00  
harm  285  284  286   70.0     120.00  
harm  270  287  289  140.0     116.60  
harm  288  287  289  160.0     122.90       
harm  287  289  290   70.0     119.80  
harm  287  289  291  100.0     121.90  
harm  289  291  292  160.0     109.70  
harm  289  291  296  126.0     110.10  
harm  290  289  291   76.0     118.40  
harm  291  292  293  126.0     112.40  
harm  291  296  297  160.0     120.40  
harm  292  293  294  126.0     111.50  
harm  292  293  295  126.0     111.50  
harm  292  291  296  126.0     111.10  
harm  294  293  295  126.0     111.50  
harm  291  296  298  140.0     116.60  
harm  297  296  298  160.0     122.90  
harm  296  298  299   70.0     119.80  
harm  296  298  300  100.0     121.90  
harm  298  300  301  160.0     109.70  
harm  298  300  317  126.0     110.10  
harm  299  298  300   76.0     118.40  
harm  300  301  302  126.0     114.00  
harm  300  317  318  160.0     120.40  
harm  301  302  303  140.0     120.00  
harm  301  302  316  140.0     128.60  
harm  301  300  317  126.0     111.10  
harm  302  303  304   70.0     120.00  
harm  302  303  305  140.0     108.75  
harm  302  316  307  170.0     116.20  
harm  302  316  314  170.0     134.90  
harm  303  305  306   70.0     126.35  
harm  303  305  307  140.0     111.60  
harm  303  302  316  170.0     120.00  
harm  304  303  305   70.0     120.00  
harm  305  307  308  140.0     132.80  
harm  305  307  316  140.0     104.40  
harm  306  305  307   70.0     124.20  
harm  307  308  309   70.0     120.00  
harm  307  308  310  170.0     120.00  
harm  307  316  314  170.0     116.20  
harm  308  310  311   70.0     120.00  
harm  308  310  312  170.0     120.00  
harm  308  307  316  170.0     122.70  
harm  309  308  310   70.0     120.00  
harm  310  312  313   70.0     120.00  
harm  310  312  314  170.0     120.00  
harm  311  310  312   70.0     120.00  
harm  312  314  315   70.0     120.00  
harm  312  314  316  170.0     120.00  
harm  313  312  314   70.0     120.00  
harm  315  314  316   70.0     120.00  
harm  300  317  319  140.0     116.60  
harm  318  317  319  160.0     122.90  
harm  317  319  320   70.0     119.80  
harm  317  319  321  100.0     121.90  
harm  319  321  322  160.0     109.70  
harm  319  321  326  126.0     110.10  
harm  320  319  321   76.0     118.40  
harm  321  322  323  126.0     112.40  
harm  321  326  327  160.0     120.40  
harm  322  323  324  126.0     111.50  
harm  322  323  325  126.0     111.50  
harm  322  321  326  126.0     111.10  
harm  324  323  325  126.0     111.50  
harm  321  326  328  140.0     116.60  
harm  327  326  328  160.0     122.90  
harm  326  328  329   70.0     119.80  
harm  326  328  330  100.0     121.90  
harm  328  330  331  160.0     109.70  
harm  328  330  347  126.0     110.10  
harm  329  328  330   76.0     118.40  
harm  330  331  332  126.0     114.00  
harm  330  347  348  160.0     120.40  
harm  331  332  333  140.0     120.00  
harm  331  332  346  140.0     128.60  
harm  331  330  347  126.0     111.10  
harm  332  333  334   70.0     120.00  
harm  332  333  335  140.0     108.75  
harm  332  346  337  170.0     116.20  
harm  332  346  344  170.0     134.90  
harm  333  335  336   70.0     126.35  
harm  333  335  337  140.0     111.60  
harm  333  332  346  170.0     120.00  
harm  334  333  335   70.0     120.00  
harm  335  337  338  140.0     132.80  
harm  335  337  346  140.0     104.40  
harm  336  335  337   70.0     124.20  
harm  337  338  339   70.0     120.00  
harm  337  338  340  170.0     120.00  
harm  337  346  344  170.0     116.20  
harm  338  340  341   70.0     120.00  
harm  338  340  342  170.0     120.00  
harm  338  337  346  170.0     122.70  
harm  339  338  340   70.0     120.00  
harm  340  342  343   70.0     120.00  
harm  340  342  344  170.0     120.00  
harm  341  340  342   70.0     120.00  
harm  342  344  345   70.0     120.00  
harm  342  344  346  170.0     120.00  
harm  343  342  344   70.0     120.00  
harm  345  344  346   70.0     120.00  
harm  330  347  349  140.0     116.60  
harm  348  347  349  160.0     122.90  
harm  347  349  350   70.0     119.80  
harm  347  349  351  100.0     121.90  
harm  349  351  352  160.0     111.20  
harm  350  349  351   76.0     118.40  
harm  351  352  353  160.0     109.50  
harm  352  353  354  110.0     108.50  
finish
TIP3P water
nummols  32096
atoms 3
    OW       16.0000     -0.8340    1   0   1
    HW        1.0080      0.4170    2   0   1
constraints  3
    1    2    0.9572
    1    3    0.9572
    2    3    1.517
finish
vdw  190
O       O       lj   0.2100       2.9600            1
O       CS      lj   0.14853      3.3316            2
O       N       lj   0.188945     3.1016            3
O       H       lj   0.0          0.0               4
O       CH      lj   0.12962      3.3538            5
O       CZ      lj   0.12962      3.3757            6
O       C3      lj   0.183313     3.402             7
O       C       lj   0.14853      3.3316            8
O       C2      lj   0.157426     3.399             9
O       HK      lj   0.07936      2.676            10
O       OH      lj   0.18895      3.0144           11
O       HO      lj   0.0          0.0              12
O       OW      lj   0.17869      3.0538           13
O       HW      lj   0.0          0.0              14
O       CQ      lj   0.1574       3.35378          15
O       CK      lj   0.1212       3.2416           16
O       NA      lj   0.188945     3.1016           17
O       CN      lj   0.1745       3.3316           18
O       CB      lj   0.1745       3.33164          19
CS      CS      lj   0.105        3.7499           20
CS      N       lj   0.133598     3.49107          21
CS      H       lj   0.0          0.0              22
CS      CH      lj   0.09165      3.7749           23
CS      CZ      lj   0.09165      3.79967          24
CS      C3      lj   0.41         3.1606           25
CS      C       lj   0.105        3.75             26
CS      C2      lj   0.11314      3.8267           27
CS      HK      lj   0.05611      3.01252          28
CS      OH      lj   0.13361      3.393            29
CS      HO      lj   0.0          0.0              30
CS      OW      lj   0.12635      3.43734          31
CS      HW      lj   0.0          0.0              32
CS      CQ      lj   0.11314      3.775            33
CS      CK      lj   0.0857       3.6486           34
CS      NA      lj   0.1336       3.49107          35
CS      CN      lj   0.1234       3.75             36
CS      CB      lj   0.1234       3.75             37
N       N       lj   0.17         3.25             38
N       H       lj   0.0          0.0              39
N       CH      lj   0.1166       3.5143           40
N       CZ      lj   0.1166       3.5373           41
N       C3      lj   0.165        3.5647           42
N       C       lj   0.1336       3.491            43
N       C2      lj   0.1416       3.5625           44
N       HK      lj   0.0714       2.8045           45
N       OH      lj   0.17         3.1587           46
N       HO      lj   0.0          0.0              47
N       OW      lj   0.1607       3.2              48
N       HW      lj   0.0          0.0              49
N       CQ      lj   0.14163      3.51425          50
N       CK      lj   0.10907      3.3967           51
N       NA      lj   0.17         3.25             52
N       CN      lj   0.157        3.491            53
N       CB      lj   0.157        3.491            54
H       H       lj   0.0          0.0              55
H       CH      lj   0.0          0.0              56
H       CZ      lj   0.0          0.0              57
H       C3      lj   0.0          0.0              58
H       C       lj   0.0          0.0              59
H       C2      lj   0.0          0.0              60
H       HK      lj   0.0          0.0              61
H       OH      lj   0.0          0.0              62
H       HO      lj   0.0          0.0              63
H       OW      lj   0.0          0.0              64
H       HW      lj   0.0          0.0              65
H       CQ      lj   0.0          0.0              66
H       CK      lj   0.0          0.0              67
H       NA      lj   0.0          0.0              68
H       CN      lj   0.0          0.0              69
H       CB      lj   0.0          0.0              70
CH      CH      lj   0.08         3.8              71
CH      CZ      lj   0.08         3.825            72
CH      C3      lj   0.1131       3.8546           73
CH      C       lj   0.0916       3.775            74
CH      C2      lj   0.09716      3.8521           75
CH      HK      lj   0.04898      3.0325           76
CH      OH      lj   0.11662      3.4155           77
CH      HO      lj   0.0          0.0              78
CH      OW      lj   0.110289     3.46017          79
CH      HW      lj   0.0          0.0              80
CH      CQ      lj   0.09716      3.8              81
CH      CK      lj   0.0748269    3.672902         82
CH      NA      lj   0.1166145    3.514266         83
CH      CN      lj   0.1077089    3.77489          84
CH      CB      lj   0.1077089    3.77489          85
CZ      CZ      lj   0.08         3.85             86
CZ      C3      lj   0.1131374    3.88             87
CZ      C       lj   0.09165      3.8              88
CZ      C2      lj   0.097162     3.8774           89
CZ      HK      lj   0.048986     3.05239          90
CZ      OH      lj   0.1166214    3.43794          91
CZ      HO      lj   0.0          0.0              92
CZ      OW      lj   0.11028      3.4828           93
CZ      HW      lj   0.0          0.0              94
CZ      CQ      lj   0.09716      3.8249           95
CZ      CK      lj   0.0748       3.697            96
CZ      NA      lj   0.116614     3.5373           97
CZ      CN      lj   0.107707     3.7996           98
CZ      CB      lj   0.107707     3.7996           99
C3      C3      lj   0.16         3.909           100
C3      C       lj   0.1296       3.82916         101
C3      C2      lj   0.1374       3.9075          102
C3      HK      lj   0.06927      3.0761          103
C3      OH      lj   0.16493      3.46462         104
C3      HO      lj   0.0          0.0             105
C3      OW      lj   0.155974     3.5099          106
C3      HW      lj   0.0          0.0             107
C3      CQ      lj   0.13741      3.85459         108
C3      CK      lj   0.105822     3.72568         109
C3      NA      lj   0.16492      3.56476         110
C3      CN      lj   0.152324     3.829144        111
C3      CB      lj   0.152324     3.829144        112
C       C       lj   0.105        3.75            113
C       C2      lj   0.1113       3.8267          114
C       HK      lj   0.056118     3.012504        115
C       OH      lj   0.133608     3.3929          116
C       HO      lj   0.0          0.0             117
C       OW      lj   0.1263524    3.4373          118
C       HW      lj   0.0          0.0             119
C       CQ      lj   0.111314     3.7749          120
C       CK      lj   0.085725     3.6486          121
C       NA      lj   0.133601     3.491           122
C       CN      lj   0.123396     3.75            123
C       CB      lj   0.123396     3.75            124
C2      C2      lj   0.118        3.90498         125
C2      HK      lj   0.059486     3.07414         126
C2      OH      lj   0.141638     3.4624          127
C2      HO      lj   0.0          0.0             128
C2      OW      lj   0.133948     3.50765         129
C2      HW      lj   0.0          0.0             130
C2      CQ      lj   0.118        3.85212         131
C2      CK      lj   0.090878     3.7233          132
C2      NA      lj   0.14163      3.56248         133
C2      CN      lj   0.130814     3.82669         134
C2      CB      lj   0.130814     3.82669         135
HK      HK      lj   0.03         2.42            136
HK      OH      lj   0.0714       2.7257          137
HK      HO      lj   0.0          0.0             138
HK      OW      lj   0.0675       2.7613          139
HK      HW      lj   0.0          0.0             140
HK      CQ      lj   0.05949      3.0325          141
HK      CK      lj   0.0458       2.93109         142
HK      NA      lj   0.0713       2.8045          143
HK      CN      lj   0.06595      3.01249         144
HK      CB      lj   0.06595      3.01249         145
OH      OH      lj   0.17         3.06998         146
OH      HO      lj   0.0          0.0             147
OH      OW      lj   0.16077      3.11            148
OH      HW      lj   0.0          0.0             149
OH      CQ      lj   0.14164      3.41553         150
OH      CK      lj   0.10907      3.3013          151
OH      NA      lj   0.17         3.1587          152
OH      CN      lj   0.157        3.3929          153
OH      CB      lj   0.157        3.3929          154
HO      HO      lj   0.0          0.0             155
HO      OW      lj   0.0          0.0             156
HO      HW      lj   0.0          0.0             157
HO      CQ      lj   0.0          0.0             158
HO      CK      lj   0.0          0.0             159
HO      NA      lj   0.0          0.0             160
HO      CN      lj   0.0          0.0             161
HO      CB      lj   0.0          0.0             162
OW      OW      lj   0.152        3.1507          163
OW      HW      lj   0.0          0.0             164
OW      CQ      lj   0.13394      3.46017         165
OW      CK      lj   0.10316      3.3444          166
OW      NA      lj   0.16077      3.2             167
OW      CN      lj   0.148488     3.437325        168
OW      CB      lj   0.148488     3.437325        169
HW      HW      lj   0.0          0.0             170
HW      CQ      lj   0.0          0.0             171
HW      CK      lj   0.0          0.0             172
HW      NA      lj   0.0          0.0             173
HW      CN      lj   0.0          0.0             174
HW      CB      lj   0.0          0.0             175
CQ      CQ      lj   0.118        3.8             176
CQ      CK      lj   0.0908       3.67289         177
CQ      NA      lj   0.1416       3.51425         178
CQ      CN      lj   0.1308       3.7749          179
CQ      CB      lj   0.1308       3.7749          180
CK      CK      lj   0.06998      3.55            181
CK      NA      lj   0.10907      3.3967          182
CK      CN      lj   0.10074      3.64865         183
CK      CB      lj   0.10074      3.64865         184
NA      NA      lj   0.1699       3.250           185
NA      CN      lj   0.157        3.4910          186
NA      CB      lj   0.15700      3.491           187
CN      CN      lj   0.14501      3.7499          188
CN      CB      lj   0.14501      3.7499          189
CB      CB      lj   0.14501      3.7499          190
close

