* LIGAND DATABASE FILE (OPLS2005)
*
ANL      15    15    24      36       0
    1     0 M   CA   _C1_     6   83.341118  125.056990 -131.359846
    2     1 M   CA   _C2_     6    1.409358   42.015176 -134.680486
    3     1 M   CA   _C6_     6    1.408634  138.720547  140.281472
    4     1 M   NP   _N1_     6    1.496526   89.548039    3.047690
    5     2 M   CA   _C3_     6    1.408515  119.115851 -129.691568
    6     2 M   HA   _H1_     6    1.080959  121.707250   50.388079
    7     5 M   CA   _C4_     6    1.410178  120.067938   -0.019018
    8     5 M   HA   _H2_     6    1.082361  120.254214 -179.929998
    9     7 M   CA   _C5_     6    1.409647  120.305411    0.025397
   10     7 M   HA   _H3_     6    1.083019  119.847436 -179.850160
   11     9 M   HA   _H4_     6    1.081870  119.719985 -179.840121
   12     3 M   HA   _H5_     6    1.080860  121.729946 -128.829261
   13     4 M    H   _H6_     6    1.009280  110.668490   -0.230963
   14     4 M    H   _H7_     6    1.009715  110.613184  119.503123
   15     4 M    H   _HN1     6    1.010064  110.427824 -120.422678
NBON
     1   3.5500   0.0700   0.537800   2.5000   1.7750   0.001000000  -0.843144165
     2   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
     3   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
     4   3.2500   0.1700  -0.527800   2.2900   2.0360   0.003973653   1.685851020
     5   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
     6   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
     7   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
     8   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
     9   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
    10   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
    11   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
    12   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
    13   0.5000   0.0300   0.330000   1.5900   1.4000   0.030040813  -0.651083722
    14   0.5000   0.0300   0.330000   1.5900   1.4000   0.030040813  -0.651083722
    15   0.5000   0.0300   0.330000   1.5900   1.4000   0.030040813  -0.651083722
BOND
     1     2   469.000  1.400
     1     3   469.000  1.400
     1     4   270.000  1.498
     2     5   469.000  1.400
     2     6   367.000  1.080
     5     7   469.000  1.400
     5     8   367.000  1.080
     7     9   469.000  1.400
     7    10   367.000  1.080
     9     3   469.000  1.400
     9    11   367.000  1.080
     3    12   367.000  1.080
     4    13   434.000  1.010
     4    14   434.000  1.010
     4    15   434.000  1.010
THET
     2     1     3    63.00000  120.00000
     2     1     4    70.00000  116.00000
     3     1     4    70.00000  116.00000
     1     2     5    63.00000  120.00000
     1     2     6    35.00000  120.00000
     5     2     6    35.00000  120.00000
     2     5     7    63.00000  120.00000
     2     5     8    35.00000  120.00000
     7     5     8    35.00000  120.00000
     5     7     9    63.00000  120.00000
     5     7    10    35.00000  120.00000
     9     7    10    35.00000  120.00000
     7     9     3    63.00000  120.00000
     7     9    11    35.00000  120.00000
     3     9    11    35.00000  120.00000
     1     3     9    63.00000  120.00000
     1     3    12    35.00000  120.00000
     9     3    12    35.00000  120.00000
     1     4    13    50.00000  111.38000
     1     4    14    50.00000  111.38000
     1     4    15    50.00000  111.38000
    13     4    14    35.00000  109.50000
    13     4    15    35.00000  109.50000
    14     4    15    35.00000  109.50000
PHI
    3     1     2     5   0.00000  1.0 1.0
    3     1     2     5   3.62500 -1.0 2.0
    3     1     2     5   0.00000  1.0 3.0
    3     1     2     5   0.00000 -1.0 4.0
    3     1     2     6   0.00000  1.0 1.0
    3     1     2     6   3.62500 -1.0 2.0
    3     1     2     6   0.00000  1.0 3.0
    3     1     2     6   0.00000 -1.0 4.0
    4     1     2     5   0.00000  1.0 1.0
    4     1     2     5   3.62500 -1.0 2.0
    4     1     2     5   0.00000  1.0 3.0
    4     1     2     5   0.00000 -1.0 4.0
    4     1     2     6   0.00000  1.0 1.0
    4     1     2     6   3.62500 -1.0 2.0
    4     1     2     6   0.00000  1.0 3.0
    4     1     2     6   0.00000 -1.0 4.0
    2     1     3     9   0.00000  1.0 1.0
    2     1     3     9   3.62500 -1.0 2.0
    2     1     3     9   0.00000  1.0 3.0
    2     1     3     9   0.00000 -1.0 4.0
    2     1     3    12   0.00000  1.0 1.0
    2     1     3    12   3.62500 -1.0 2.0
    2     1     3    12   0.00000  1.0 3.0
    2     1     3    12   0.00000 -1.0 4.0
    4     1     3     9   0.00000  1.0 1.0
    4     1     3     9   3.62500 -1.0 2.0
    4     1     3     9   0.00000  1.0 3.0
    4     1     3     9   0.00000 -1.0 4.0
    4     1     3    12   0.00000  1.0 1.0
    4     1     3    12   3.62500 -1.0 2.0
    4     1     3    12   0.00000  1.0 3.0
    4     1     3    12   0.00000 -1.0 4.0
    2     1     4    13   0.00000  1.0 1.0
    2     1     4    14   0.00000  1.0 1.0
    2     1     4    15   0.00000  1.0 1.0
    3     1     4    13   0.00000  1.0 1.0
    3     1     4    14   0.00000  1.0 1.0
    3     1     4    15   0.00000  1.0 1.0
    1     2     5     7   0.00000  1.0 1.0
    1     2     5     7   3.62500 -1.0 2.0
    1     2     5     7   0.00000  1.0 3.0
    1     2     5     7   0.00000 -1.0 4.0
    1     2     5     8   0.00000  1.0 1.0
    1     2     5     8   3.62500 -1.0 2.0
    1     2     5     8   0.00000  1.0 3.0
    1     2     5     8   0.00000 -1.0 4.0
    6     2     5     7   0.00000  1.0 1.0
    6     2     5     7   3.62500 -1.0 2.0
    6     2     5     7   0.00000  1.0 3.0
    6     2     5     7   0.00000 -1.0 4.0
    6     2     5     8   0.00000  1.0 1.0
    6     2     5     8   3.62500 -1.0 2.0
    6     2     5     8   0.00000  1.0 3.0
    6     2     5     8   0.00000 -1.0 4.0
    2     5    -7     9   0.00000  1.0 1.0
    2     5    -7     9   3.62500 -1.0 2.0
    2     5    -7     9   0.00000  1.0 3.0
    2     5    -7     9   0.00000 -1.0 4.0
    2     5     7    10   0.00000  1.0 1.0
    2     5     7    10   3.62500 -1.0 2.0
    2     5     7    10   0.00000  1.0 3.0
    2     5     7    10   0.00000 -1.0 4.0
    8     5     7     9   0.00000  1.0 1.0
    8     5     7     9   3.62500 -1.0 2.0
    8     5     7     9   0.00000  1.0 3.0
    8     5     7     9   0.00000 -1.0 4.0
    8     5     7    10   0.00000  1.0 1.0
    8     5     7    10   3.62500 -1.0 2.0
    8     5     7    10   0.00000  1.0 3.0
    8     5     7    10   0.00000 -1.0 4.0
    5     7    -9     3   0.00000  1.0 1.0
    5     7    -9     3   3.62500 -1.0 2.0
    5     7    -9     3   0.00000  1.0 3.0
    5     7    -9     3   0.00000 -1.0 4.0
    5     7     9    11   0.00000  1.0 1.0
    5     7     9    11   3.62500 -1.0 2.0
    5     7     9    11   0.00000  1.0 3.0
    5     7     9    11   0.00000 -1.0 4.0
   10     7     9     3   0.00000  1.0 1.0
   10     7     9     3   3.62500 -1.0 2.0
   10     7     9     3   0.00000  1.0 3.0
   10     7     9     3   0.00000 -1.0 4.0
   10     7     9    11   0.00000  1.0 1.0
   10     7     9    11   3.62500 -1.0 2.0
   10     7     9    11   0.00000  1.0 3.0
   10     7     9    11   0.00000 -1.0 4.0
    7     9    -3     1   0.00000  1.0 1.0
    7     9    -3     1   3.62500 -1.0 2.0
    7     9    -3     1   0.00000  1.0 3.0
    7     9    -3     1   0.00000 -1.0 4.0
    7     9     3    12   0.00000  1.0 1.0
    7     9     3    12   3.62500 -1.0 2.0
    7     9     3    12   0.00000  1.0 3.0
    7     9     3    12   0.00000 -1.0 4.0
   11     9     3     1   0.00000  1.0 1.0
   11     9     3     1   3.62500 -1.0 2.0
   11     9     3     1   0.00000  1.0 3.0
   11     9     3     1   0.00000 -1.0 4.0
   11     9     3    12   0.00000  1.0 1.0
   11     9     3    12   3.62500 -1.0 2.0
   11     9     3    12   0.00000  1.0 3.0
   11     9     3    12   0.00000 -1.0 4.0
IPHI
     3     4     1     2   4.00000 -1.0 2.0
     5     6     2     1   1.10000 -1.0 2.0
     7     8     5     2   1.10000 -1.0 2.0
     9    10     7     5   1.10000 -1.0 2.0
     3    11     9     7   1.10000 -1.0 2.0
     9    12     3     1   1.10000 -1.0 2.0
END