* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    107    161     317
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02000    98.45908    24.22707
    3     1 S   H    _H1_     3     1.02116    35.98884   134.49007
    4     1 S   H    _H2_     4     1.02062    80.27910   -83.44267
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C7_    36     1.81862    98.14257  -178.20539
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C5_    37     1.52384   113.98765    59.99194
   38    37 S   HC   _H18    38     1.04435   115.16197   -87.44346
   39    33 S   OH   _O10    60     1.42859   110.17618   -60.81722
   40    39 S   HO   _H23    61     0.97133   106.94595    64.66399
   41    37 S   CO4  _C4_    39     1.50564   101.78447   153.68982
   42    41 S   O    _O7_    40     1.22132   125.65240   163.19719
   43    37 S   OS   _O15    53     1.41316   113.87965    40.90066
   44    41 S   OS   _O9_    41     1.36964   109.87148   -18.72650
   45    43 S   P1   _P17    54     1.62510   118.92023  -169.34804
   46    45 S   O2Z  _O8_    55     1.50076   114.74449    39.98432
   47    33 S   CT   _C6_    42     1.52506   112.58911   175.53542
   48    47 S   HC   _H19    43     1.09979   112.28623   -41.59540
   49    45 S   OS   _O13    56     1.61797   103.56476   -86.59179
   50    49 S   HO   _H26    57     0.98084   118.84957  -173.78924
   51    45 S   OS   _O14    58     1.61650   103.30301   165.95065
   52    51 S   HO   _H27    59     0.98096   118.94280   174.24374
   53    47 S   CT   _C9_    44     1.52092   116.04259    83.32434
   54    53 S   HC   _H22    45     1.09351   110.22162   -60.04793
   55    53 S   CT   _C8_    46     1.52173   111.27552   177.14275
   56    55 S   HC   _H20    47     1.09482   111.29214   -80.00098
   57    55 S   HC   _H21    48     1.09459   111.20914    42.43260
   58    53 S   OH   _O34    51     1.42524   108.65640    57.72223
   59    58 S   HO   _H25    52     0.96979   106.55577    60.00504
   60    55 S   OH   _O33    49     1.42381   108.70595   161.29911
   61    60 S   HO   _H24    50     0.97091   106.57607  -179.95577
  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  11   5   4   3
  15   2   1   1  14   7   7   1   7   3   8   6   5   4   9   4
   3   1   1   1   8   6   6   4   3   2   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    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    47    48    53    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    47    48    53    54    55    58    43    45    39    40  
   35    36  
   36  
    0  
   38    41    42    44    47    48    53    43    45    46    49    51    39    40  
   41    42    44    47    43    45    39  
   40    41    43    44    47    48    53  
   47  
   42    44    47    48    53    43    45  
   44    47    43  
   45    46    49    50    51    52    44    47  
   47    48    53    54    55    58  
   46    49    50    51    52  
   49    50    51    52  
   48    53    54    55    56    57    60    58    59  
   53    54    55    58  
   50    51    52  
   51  
   52  
    0  
   54    55    56    57    60    61    58    59  
   55    56    57    60    58    59  
   56    57    60    61    58    59  
   57    60    61    58  
   60    61    58  
   59    60  
    0  
   61  
    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   0.432500   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   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   51   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   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   268.000  1.529
   33    47   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   320.000  1.410
   41    42   570.000  1.229
   41    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   320.000  1.410
   60    61   553.000  0.945
   58    59   553.000  0.945
   43    45   405.000  1.623
   45    46   675.000  1.490
   45    49   405.000  1.623
   45    51   405.000  1.623
   49    50   553.000  0.945
   51    52   553.000  0.945
   39    40   553.000  0.945
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  111.63000
   29    33    47    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    50.00000  109.50000
   33    47    44    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    53    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    80.00000  120.40000
   37    41    44    81.00000  111.40000
   37    43    45    75.00000  119.24600
   41    37    38    35.00000  109.50000
   41    44    47    83.00000  116.90000
   44    41    42    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    53    50.00000  109.50000
   47    33    37    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    55    58.35000  112.70000
   47    53    58    50.00000  109.50000
   53    47    48    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    50.00000  109.50000
   53    58    59    55.00000  108.50000
   55    53    54    37.50000  110.70000
   55    60    61    55.00000  108.50000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   58    53    54    35.00000  109.50000
   58    53    55    50.00000  109.50000
   43    37    38    35.00000  109.50000
   43    37    41    90.00000  108.74100
   43    45    46   100.00000  115.86100
   43    45    49   120.00000  102.38000
   43    45    51   120.00000  102.38000
   45    49    50    50.00000  113.86100
   45    51    52    50.00000  113.86100
   49    45    46   100.00000  115.86100
   51    45    46   100.00000  115.86100
   51    45    49   120.00000  102.38000
   39    33    37    50.00000  109.50000
   39    33    47    50.00000  109.50000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    53   0.44750  1.0 1.0
   29    33    47    53  -0.17800 -1.0 2.0
   29    33    47    53   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    44   0.36750  1.0 3.0
   33    37    43    45  -2.65550  1.0 1.0
   33    37    43    45  -0.22350 -1.0 2.0
   33    37    43    45   0.24150  1.0 3.0
   33    47    53    54   0.15000  1.0 3.0
   33    47    53    55   0.56750  1.0 1.0
   33    47    53    55  -0.07550 -1.0 2.0
   33    47    53    55   0.20000  1.0 3.0
   33    47    53    58   0.86500  1.0 1.0
   33    47    53    58  -0.17500 -1.0 2.0
   33    47    53    58   0.20800  1.0 3.0
   37    33   -47    44   0.62750  1.0 1.0
   37    33   -47    44  -0.30950 -1.0 2.0
   37    33   -47    44   0.27300  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    53   0.56750  1.0 1.0
   37    33    47    53  -0.07550 -1.0 2.0
   37    33    47    53   0.20000  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    41   -44    47   1.63150  1.0 1.0
   37    41   -44    47   2.92000 -1.0 2.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.91800  1.0 1.0
   37    43    45    49   0.22900 -1.0 2.0
   37    43    45    49   0.32050  1.0 3.0
   37    43    45    51   0.91800  1.0 1.0
   37    43    45    51   0.22900 -1.0 2.0
   37    43    45    51   0.32050  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    44   0.00000  1.0 1.0
   38    37    43    45   0.03000  1.0 3.0
   41    37    43    45   0.37500  1.0 3.0
   41    44   -47    33  -0.25900  1.0 1.0
   41    44   -47    33  -0.47000 -1.0 2.0
   41    44   -47    33   0.11750  1.0 3.0
   41    44    47    48   0.08050  1.0 3.0
   41    44    47    53  -0.25900  1.0 1.0
   41    44    47    53  -0.47000 -1.0 2.0
   41    44    47    53   0.11750  1.0 3.0
   42    41    44    47   3.00000 -1.0 2.0
   44    47    53    54   0.23400  1.0 3.0
   44    47    53    55   0.62750  1.0 1.0
   44    47    53    55  -0.30950 -1.0 2.0
   44    47    53    55   0.27300  1.0 3.0
   44    47    53    58   3.69350  1.0 1.0
   44    47    53    58  -1.82950 -1.0 2.0
   47    33    37    38   0.15000  1.0 3.0
   47    33   -37    41  -0.95700  1.0 1.0
   47    33   -37    41  -0.18200 -1.0 2.0
   47    33   -37    41   0.29450  1.0 3.0
   47    33    37    43   0.62750  1.0 1.0
   47    33    37    43  -0.30950 -1.0 2.0
   47    33    37    43   0.27300  1.0 3.0
   47    33    39    40  -0.11600  1.0 1.0
   47    33    39    40  -0.09450 -1.0 2.0
   47    33    39    40   0.21250  1.0 3.0
   47    53    55    56   0.15000  1.0 3.0
   47    53    55    57   0.15000  1.0 3.0
   47    53    55    60   0.86500  1.0 1.0
   47    53    55    60  -0.17500 -1.0 2.0
   47    53    55    60   0.20800  1.0 3.0
   47    53    58    59  -0.11600  1.0 1.0
   47    53    58    59  -0.09450 -1.0 2.0
   47    53    58    59   0.21250  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    58   0.23400  1.0 3.0
   53    55    60    61  -0.11600  1.0 1.0
   53    55    60    61  -0.09450 -1.0 2.0
   53    55    60    61   0.21250  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    60   0.23400  1.0 3.0
   54    53    58    59   0.19450  1.0 3.0
   55    53    58    59  -0.11600  1.0 1.0
   55    53    58    59  -0.09450 -1.0 2.0
   55    53    58    59   0.21250  1.0 3.0
   56    55    60    61   0.19450  1.0 3.0
   57    55    60    61   0.19450  1.0 3.0
   58    53    55    56   0.23400  1.0 3.0
   58    53    55    57   0.23400  1.0 3.0
   58    53    55    60   3.75450  1.0 1.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    44   0.40000  1.0 3.0
   43    45    49    50  -0.22900  1.0 1.0
   43    45    49    50   0.09450 -1.0 2.0
   43    45    49    50  -0.07800  1.0 3.0
   43    45    51    52  -0.22900  1.0 1.0
   43    45    51    52   0.09450 -1.0 2.0
   43    45    51    52  -0.07800  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    51    52   0.00000  1.0 1.0
   49    45    51    52  -0.22900  1.0 1.0
   49    45    51    52   0.09450 -1.0 2.0
   49    45    51    52  -0.07800  1.0 3.0
   51    45    49    50  -0.22900  1.0 1.0
   51    45    49    50   0.09450 -1.0 2.0
   51    45    49    50  -0.07800  1.0 3.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41  -0.09450  1.0 1.0
   39    33    37    41  -1.12950 -1.0 2.0
   39    33    37    41   0.54000  1.0 3.0
   39    33    37    43   3.69350  1.0 1.0
   39    33    37    43  -1.82950 -1.0 2.0
   39    33    47    44   3.69350  1.0 1.0
   39    33    47    44  -1.82950 -1.0 2.0
   39    33    47    48   0.23400  1.0 3.0
   39    33    47    53   0.86500  1.0 1.0
   39    33    47    53  -0.17500 -1.0 2.0
   39    33    47    53   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
   37    44    41    42  10.50000 -1.0 2.0
END
