* LIGAND DATABASE FILE (OPLS2005)
*
001      58    57     92    127     264
    1     0 S   NP   _N1_     1    30.09859    93.84154   -17.17813
    2     1 S   H    _HN1     2     1.02823    25.17381   119.70495
    3     1 S   H    _H1_     3     1.02798    88.71773   -19.61175
    4     1 S   H    _H2_     4     1.03172   129.36858    91.87040
    5     1 S   CT   _CA1     5     1.49824   105.18867  -132.68323
    6     5 S   HC   _HA1     6     1.09574   105.18360    34.28273
    7     5 S   CO3  _C1_     7     1.53811   112.56135   -86.03572
    8     7 S   O2Z  _O11     8     1.26325   115.21782   -48.48685
    9     7 S   O2Z  _O12     9     1.26277   114.85004   130.91744
   10     5 S   CT   _CB1    10     1.53007   107.65476   152.20215
   11    10 S   HC   HB11    11     1.09830   109.78161   -48.74528
   12    10 S   HC   HB12    12     1.09600   110.33263    67.70009
   13    10 S   CT   _CG1    13     1.52942   112.54287  -169.84251
   14    13 S   HC   HG11    14     1.09565   111.30849   -60.68589
   15    13 S   HC   HG12    15     1.09597   110.69038    58.46294
   16    13 S   C    _CD1    16     1.51364   110.14933   178.11176
   17    16 S   O    _OE1    17     1.22810   121.72377   -93.66502
   18    16 S   N    _N2_    18     1.38391   112.85058    84.89858
   19    18 S   H    _HN2    19     1.01597   119.03653     3.56908
   20    18 S   CT1  _CA2    20     1.46218   123.43545  -178.42393
   21    20 S   HC   _HA2    21     1.09712   109.48715     0.61038
   22    20 S   C    _C2_    22     1.53433   108.38859  -115.38855
   23    22 S   O    _O2_    23     1.23046   122.15198  -143.40107
   24    20 S   CT   _CB2    32     1.53350   111.41078   122.63801
   25    24 S   HC   HB21    33     1.09459   109.54333    60.70857
   26    24 S   HC   HB22    34     1.09553   110.34469   178.55463
   27    22 S   N    _N3_    24     1.38456   113.64166    43.61341
   28    27 S   H    _HN3    25     1.01484   119.11600     0.18345
   29    24 S   S    _SG2    35     1.82856   111.75878   -62.02377
   30    27 S   CT   _CA3    26     1.45423   123.17247   175.86853
   31    30 S   HC   HA31    27     1.09544   108.92517    30.02352
   32    30 S   HC   HA32    28     1.09489   107.18296   146.94183
   33    29 S   S    _S16    36     2.05930   102.44464   147.01550
   34    30 S   CO3  _C3_    29     1.52935   113.37893   -93.26708
   35    34 S   O2Z  _O31    30     1.26380   115.52540   -42.38493
   36    34 S   O2Z  _O32    31     1.26375   114.90412   138.58819
   37    33 S   CM   _C15    37     1.74571    99.00972   -89.31176
   38    37 S   CZ   _C8_    38     1.42974   118.01319    83.10166
   39    37 S   CM   _C13    45     1.34813   123.85415   -96.95250
   40    39 S   HC   _H21    46     1.08992   117.11636  -179.65565
   41    38 S   CZ   _C7_    39     1.20118   177.60608   -88.82939
   42    39 S   CM   _C12    47     1.45512   127.88509     0.95757
   43    42 S   HC   _H20    48     1.08868   116.00339    -2.31892
   44    41 S   CM   _C11    40     1.41897   178.43878    -7.77541
   45    44 S   HC   _H19    41     1.08516   118.27687  -107.26054
   46    42 S   CMA  _C14    49     1.35103   126.22055   177.43784
   47    46 S   SM   _S15    50     1.73664   131.72283    -0.02798
   48    44 S   CM   _C10    42     1.33661   121.74322    72.16877
   49    48 S   HC   _H17    43     1.08494   120.30585  -179.63846
   50    48 S   HC   _H18    44     1.08526   122.07113     0.39217
   51    46 S   CZ   _C6_    51     1.43425   116.60938  -179.74977
   52    51 S   CZ   _C4_    52     1.20172   179.31815     3.78300
   53    52 S   CZ   _C5_    53     1.37206   179.97202    63.91982
   54    53 S   CZ   _C9_    54     1.20051   179.97202    84.63268
   55    54 S   CT   _C16    55     1.46211   179.96044    34.01221
   56    55 S   HC   _H22    56     1.09416   110.83988   -64.80967
   57    55 S   HC   _H23    57     1.09416   110.84030    55.18979
   58    55 S   HC   _H24    58     1.09416   110.84014   175.19046
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   4   5   4   3
   6   2   1   1   8   7   7   3   5   5   3   4   3   4   2   2
   1   1   3   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    39    40    42  
   35    36  
   36  
    0  
   38    41    44    39    40    42    43    46  
   41    44    45    48    39    40    42  
   40    42    43    46    47    51    41  
   42    43    46  
   44    45    48    49    50  
   43    46    47    51    52  
   46    47    51  
   45    48    49    50  
   48    49    50  
   47    51    52    53  
   51    52  
   49    50  
   50  
    0  
   52    53    54  
   53    54    55  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.6000   0.3550  -0.007500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   42   3.5500   0.0760  -0.430000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.170700   2.0020   1.7750   0.023028004  -0.852763146
   47   4.2500   0.5000  -0.855700   2.3875   2.1250   0.025682759  -1.666211680
   48   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   52   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   53   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   54   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   240.000  1.763
   37    38   400.000  1.423
   37    39   549.000  1.340
   38    41   985.000  1.221
   41    44   400.000  1.423
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    50   340.000  1.080
   39    40   340.000  1.080
   39    42   380.000  1.444
   42    43   340.000  1.080
   42    46   465.000  1.376
   46    47   255.000  1.748
   46    51   400.000  1.423
   51    52   985.000  1.221
   52    53   985.000  1.221
   53    54   985.000  1.221
   54    55   390.000  1.470
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    90.00000  106.02000
   33    37    38    70.00000  118.05900
   33    37    39    65.00000  122.11800
   37    38    41    30.00000  178.29000
   37    39    40    35.00000  120.00000
   37    39    42    70.00000  123.01800
   38    41    44    30.00000  178.29000
   41    44    45    40.00000  117.14900
   41    44    48    65.00000  121.28400
   44    48    49    35.00000  120.00000
   44    48    50    35.00000  120.00000
   48    44    45    35.00000  120.00000
   50    48    49    35.00000  117.00000
   39    37    38    65.00000  121.28400
   39    42    43    35.00000  120.00000
   39    42    46    70.00000  117.34000
   42    39    40    35.00000  120.00000
   42    46    47    55.00000  134.26900
   42    46    51    65.00000  121.28400
   46    42    43    40.00000  120.50800
   46    51    52    30.00000  178.29000
   51    46    47    70.00000  118.05900
   51    52    53    30.00000  179.78000
   52    53    54    30.00000  179.78000
   53    54    55    30.00000  179.48800
   54    55    56    35.00000  108.50000
   54    55    57    35.00000  108.50000
   54    55    58    35.00000  108.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   1.00000 -1.0 2.0
   29    33    37    39   1.00000 -1.0 2.0
   33    37    38    41   0.00000  1.0 1.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    42   7.00000 -1.0 2.0
   37    38    41    44   0.00000  1.0 1.0
   37    39    42    43  -0.18600  1.0 3.0
   37    39    42    46   0.28850  1.0 1.0
   37    39    42    46   2.61350 -1.0 2.0
   37    39    42    46   0.78400  1.0 3.0
   38    37    39    40   7.00000 -1.0 2.0
   38    37    39    42   7.00000 -1.0 2.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    48   0.00000  1.0 1.0
   41    44    48    49   7.00000 -1.0 2.0
   41    44    48    50   7.00000 -1.0 2.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    50   7.00000 -1.0 2.0
   39    37    38    41   0.00000  1.0 1.0
   39    42    46    47   7.00000 -1.0 2.0
   39    42    46    51   7.00000 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    46  -0.18600  1.0 3.0
   42    46    51    52   0.00000  1.0 1.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    51   7.00000 -1.0 2.0
   46    51    52    53   0.00000  1.0 1.0
   47    46    51    52   0.00000  1.0 1.0
   51    52    53    54   0.00000  1.0 1.0
   52    53    54    55   0.00000  1.0 1.0
   53    54    55    56   0.00000  1.0 1.0
   53    54    55    57   0.00000  1.0 1.0
   53    54    55    58   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    39  15.00000 -1.0 2.0
   41    45    44    48  15.00000 -1.0 2.0
   49    50    48    44  15.00000 -1.0 2.0
   42    40    39    37  15.00000 -1.0 2.0
   39    43    42    46  15.00000 -1.0 2.0
   51    47    46    42  15.00000 -1.0 2.0
END
