* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    113    171     334
    1     0 S   NP   _N1_     1    28.80288    96.24561   -22.90604
    2     1 S   H    _HN1     2     1.02790   103.30645   -99.36581
    3     1 S   H    _H1_     3     1.02948    73.03573     6.09860
    4     1 S   H    _H2_     4     1.02827    38.11064   158.50290
    5     1 S   CT   _CA1     5     1.50128   140.18472   107.80833
    6     5 S   HC   _HA1     6     1.09573   105.16376    89.97909
    7     5 S   CO3  _C1_     7     1.53778   112.50607   -30.21704
    8     7 S   O2Z  _O11     8     1.26377   115.00107   -41.26249
    9     7 S   O2Z  _O12     9     1.26241   114.95174   137.79760
   10     5 S   CT   _CB1    10     1.53068   107.40736  -152.03189
   11    10 S   HC   HB11    11     1.09838   109.33501   -49.34202
   12    10 S   HC   HB12    12     1.09811   110.46035    67.25962
   13    10 S   CT   _CG1    13     1.53006   112.63890  -170.29420
   14    13 S   HC   HG11    14     1.09572   110.69794   -67.10220
   15    13 S   HC   HG12    15     1.09672   109.72085    52.14126
   16    13 S   C    _CD1    16     1.51807   112.09563   172.60843
   17    16 S   O    _OE1    17     1.22743   123.23456    10.66424
   18    16 S   N    _N2_    18     1.38656   111.76899  -169.38007
   19    18 S   H    _HN2    19     1.01572   118.93451     1.38268
   20    18 S   CT1  _CA2    20     1.46212   123.38239   176.69678
   21    20 S   HC   _HA2    21     1.09738   109.35528     6.28584
   22    20 S   C    _C2_    22     1.53647   108.62441  -109.21154
   23    22 S   O    _O2_    23     1.23074   122.25375  -147.35407
   24    20 S   CT   _CB2    32     1.53494   111.68628   128.36604
   25    24 S   HC   HB21    33     1.09472   109.51329    56.38632
   26    24 S   HC   HB22    34     1.09318   109.62048   175.17907
   27    22 S   N    _N3_    24     1.38314   113.79951    40.03724
   28    27 S   H    _HN3    25     1.01558   119.63134    -3.01448
   29    24 S   S    _SG2    35     1.82882   111.23231   -64.42648
   30    27 S   CT   _CA3    26     1.45286   123.26140   177.28048
   31    30 S   HC   HA31    27     1.09547   107.49118   -65.29025
   32    30 S   HC   HA32    28     1.09556   108.01795    51.16684
   33    29 S   CT   _C11    36     1.86710   102.02048  -174.86207
   34    30 S   CO3  _C3_    29     1.52975   114.05131   173.18511
   35    34 S   O2Z  _O31    30     1.26382   116.07680    -0.50124
   36    34 S   O2Z  _O32    31     1.26427   114.41269   179.55943
   37    33 S   CO4  _C4_    37     1.54434   107.70288  -172.31875
   38    37 S   O    _O33    38     1.23223   123.70620   -15.07250
   39    33 S   CT   _C13    59     1.53716   107.98846    71.63082
   40    39 S   HC   _H25    60     1.09438   112.18910   -66.40886
   41    39 S   HC   _H26    61     1.09499   111.95541   174.00809
   42    39 S   HC   _H27    62     1.09686   111.50384    55.25961
   43    37 S   CT   _C7_    39     1.51907   116.72165   170.37000
   44    43 S   HC   _H16    40     1.09494   107.35973    71.17044
   45    43 S   HC   _H17    41     1.09691   108.21710  -173.05508
   46    43 S   CT   _C9_    42     1.53377   111.42896   -52.24304
   47    46 S   HC   _H20    43     1.09969   106.29716   -62.34833
   48    46 S   CT   _C8_    44     1.54096   109.69107    54.40639
   49    48 S   HC   _H18    45     1.09676   110.23001    65.34286
   50    48 S   HC   _H19    46     1.09698   109.50886  -177.58249
   51    46 S   CM   _C6_    51     1.52669   114.89329  -179.91844
   52    33 S   CT   _C10    47     1.54687   112.27880   -52.26186
   53    52 S   HC   _H21    48     1.09629   110.10796    70.17751
   54    51 S   CM   _C5_    52     1.34360   124.74744   -20.93967
   55    54 S   HC   _H14    53     1.08581   121.13864   179.25875
   56    54 S   HC   _H15    54     1.08328   122.68696    -1.19288
   57    51 S   CT   _C12    55     1.50803   115.57818   157.62454
   58    57 S   HC   _H22    56     1.09494   110.28138   -56.53878
   59    57 S   HC   _H23    57     1.09396   110.81092    63.72669
   60    57 S   HC   _H24    58     1.09543   112.20999  -176.20429
   61    52 S   OH   _O34    49     1.43115   110.13029   -47.83179
   62    61 S   HO   _H28    50     0.97258   107.73311   175.64918
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  15   6   8   3   2   1  11   5   4  15   7   9
   5   4   8   3   2   6   2   1   3   2   1   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    52    53    61    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    48    49    50    52    53    61    62    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    48    52    53    61    51    39    40    41    42  
   43    44    45    46    52    39  
   40    41    42    43    48    52    53    61  
   41    42    52  
   42    52  
   52  
   44    45    46    47    48    49    50    52    51    54    57  
   45    46    47    48    51  
   46    47    48    51  
   47    48    49    50    52    53    61    51    54    55    56    57    58    59    60  
   48    49    50    52    51    54    57  
   49    50    52    53    61    62    51    54    57  
   50    52    53    61    51  
   52    53    61    51  
   54    55    56    57    58    59    60    52  
   53    61    62  
   61    62  
   55    56    57    58    59    60  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62  
    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   0.047500   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  -0.335000   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   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   222.000  1.810
   33    37   317.000  1.522
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    61   320.000  1.410
   61    62   553.000  0.945
   51    54   549.000  1.340
   51    57   317.000  1.510
   54    55   340.000  1.080
   54    56   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    70.00000  116.00000
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    61    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    63.00000  111.10000
   43    37    38    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    51    70.00000  112.02700
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    51    54    70.00000  124.00000
   46    51    57    65.00000  117.92700
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    61    50.00000  109.50000
   50    48    49    33.00000  107.80000
   52    33    37    63.00000  111.10000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    61    62    55.00000  108.50000
   61    52    53    35.00000  109.50000
   51    46    47    35.00000  109.50000
   51    46    48    70.00000  112.02700
   51    54    55    35.00000  120.00000
   51    54    56    35.00000  120.00000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   56    54    55    35.00000  117.00000
   57    51    54    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    52    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    61   0.56750  1.0 1.0
   29    33    52    61  -0.07550 -1.0 2.0
   29    33    52    61   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.00000  1.0 1.0
   33    37    43    45   0.00000  1.0 1.0
   33    37    43    46   0.60050  1.0 1.0
   33    37    43    46   0.05600 -1.0 2.0
   33    37    43    46   0.26150  1.0 3.0
   33    52    61    62  -0.11600  1.0 1.0
   33    52    61    62  -0.09450 -1.0 2.0
   33    52    61    62   0.21250  1.0 3.0
   37    33    52    48  -0.95700  1.0 1.0
   37    33    52    48  -0.18200 -1.0 2.0
   37    33    52    48   0.29450  1.0 3.0
   37    33    52    53  -0.11250  1.0 3.0
   37    33    52    61  -0.09450  1.0 1.0
   37    33    52    61  -1.12950 -1.0 2.0
   37    33    52    61   0.54000  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43    46    47  -0.11250  1.0 3.0
   37    43   -46    48  -0.95700  1.0 1.0
   37    43   -46    48  -0.18200 -1.0 2.0
   37    43   -46    48   0.29450  1.0 3.0
   37    43    46    51  -0.98800  1.0 1.0
   37    43    46    51   0.48800 -1.0 2.0
   37    43    46    51   0.76800  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   38    37    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46    48    52   0.56750  1.0 1.0
   43    46    48    52  -0.07550 -1.0 2.0
   43    46    48    52   0.20000  1.0 3.0
   43    46    51    54   0.09850  1.0 1.0
   43    46    51    54   0.15250 -1.0 2.0
   43    46    51    54  -0.50650  1.0 3.0
   43    46    51    57   0.46850  1.0 1.0
   43    46    51    57   0.08550 -1.0 2.0
   43    46    51    57   0.09800  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    51   0.15000  1.0 3.0
   46    48   -52    33   0.56750  1.0 1.0
   46    48   -52    33  -0.07550 -1.0 2.0
   46    48   -52    33   0.20000  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    61   0.86500  1.0 1.0
   46    48    52    61  -0.17500 -1.0 2.0
   46    48    52    61   0.20800  1.0 3.0
   46    51    54    55   7.00000 -1.0 2.0
   46    51    54    56   7.00000 -1.0 2.0
   46    51    57    58   0.34800  1.0 3.0
   46    51    57    59   0.34800  1.0 3.0
   46    51    57    60   0.34800  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    51    54   0.00000  1.0 1.0
   47    46    51    57   0.34800  1.0 3.0
   48    46    51    54   0.09850  1.0 1.0
   48    46    51    54   0.15250 -1.0 2.0
   48    46    51    54  -0.50650  1.0 3.0
   48    46    51    57   0.46850  1.0 1.0
   48    46    51    57   0.08550 -1.0 2.0
   48    46    51    57   0.09800  1.0 3.0
   48    52    61    62  -0.11600  1.0 1.0
   48    52    61    62  -0.09450 -1.0 2.0
   48    52    61    62   0.21250  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    61   0.23400  1.0 3.0
   50    48    52    33   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    61   0.23400  1.0 3.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    43   0.60050  1.0 1.0
   52    33   -37    43   0.05600 -1.0 2.0
   52    33   -37    43   0.26150  1.0 3.0
   52    33    39    40   0.15000  1.0 3.0
   52    33    39    41   0.15000  1.0 3.0
   52    33    39    42   0.15000  1.0 3.0
   53    52    61    62   0.19450  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    52   0.34400  1.0 1.0
   51    46    48    52   0.09450 -1.0 2.0
   51    46    48    52   0.11100  1.0 3.0
   54    51    57    58   0.00000  1.0 1.0
   54    51    57    59   0.00000  1.0 1.0
   54    51    57    60   0.00000  1.0 1.0
   57    51    54    55   7.00000 -1.0 2.0
   57    51    54    56   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.60050  1.0 1.0
   39    33    37    43   0.05600 -1.0 2.0
   39    33    37    43   0.26150  1.0 3.0
   39    33    52    48   0.56750  1.0 1.0
   39    33    52    48  -0.07550 -1.0 2.0
   39    33    52    48   0.20000  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    61   0.86500  1.0 1.0
   39    33    52    61  -0.17500 -1.0 2.0
   39    33    52    61   0.20800  1.0 3.0
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    43    37    38  10.50000 -1.0 2.0
   46    57    51    54  15.00000 -1.0 2.0
   55    56    54    51  15.00000 -1.0 2.0
END
