* LIGAND DATABASE FILE (OPLS2005)
*
001      79    79    146    214     426
    1     0 S   NP   _N1_     1    29.08019    97.19209   -20.55123
    2     1 S   H    _HN1     2     1.02787    86.00397   -84.35704
    3     1 S   H    _H1_     3     1.02949    74.81275    25.85853
    4     1 S   H    _H2_     4     1.02831    47.72470   157.01676
    5     1 S   CT   _CA1     5     1.50053   156.87465   132.46974
    6     5 S   HC   _HA1     6     1.09572   105.26491    78.31230
    7     5 S   CO3  _C1_     7     1.53704   112.56929   -42.05440
    8     7 S   O2Z  _O11     8     1.26367   115.02539   -42.97270
    9     7 S   O2Z  _O12     9     1.26232   114.91203   136.45492
   10     5 S   CT   _CB1    10     1.53062   107.49719  -163.64770
   11    10 S   HC   HB11    11     1.09824   109.35418   -50.97178
   12    10 S   HC   HB12    12     1.09819   110.45537    65.63113
   13    10 S   CT   _CG1    13     1.52956   112.55111  -172.03819
   14    13 S   HC   HG11    14     1.09617   110.56823   -64.72872
   15    13 S   HC   HG12    15     1.09666   109.90006    54.52127
   16    13 S   C    _CD1    16     1.51726   112.33238   174.97243
   17    16 S   O    _OE1    17     1.22703   123.37023     2.32170
   18    16 S   N    _N2_    18     1.38563   111.46859  -177.81358
   19    18 S   H    _HN2    19     1.01597   118.93115     1.59434
   20    18 S   CT1  _CA2    20     1.46136   123.49658   179.23255
   21    20 S   HC   _HA2    21     1.09727   109.47713    -5.82346
   22    20 S   C    _C2_    22     1.53430   108.37631  -121.36726
   23    22 S   O    _O2_    23     1.23034   122.37527  -147.78094
   24    20 S   CT   _CB2    32     1.53196   111.17753   116.34434
   25    24 S   HC   HB21    33     1.09546   109.93526    55.34840
   26    24 S   HC   HB22    34     1.09516   110.67698   173.54916
   27    22 S   N    _N3_    24     1.38364   113.51414    39.69724
   28    27 S   H    _HN3    25     1.01629   119.51200    -3.53230
   29    24 S   S    _SG2    35     1.82982   111.59992   -67.66288
   30    27 S   CT   _CA3    26     1.45287   123.14971   177.01502
   31    30 S   HC   HA31    27     1.09552   107.52216   -63.99368
   32    30 S   HC   HA32    28     1.09559   107.95599    52.42071
   33    29 S   CT   _C16    36     1.83895    99.86777   135.47102
   34    33 S   HC   _H6_    37     1.09666   107.76687    36.46909
   35    30 S   CO3  _C3_    29     1.52941   114.12225   174.40451
   36    35 S   O2Z  _O31    30     1.26370   116.05950    -0.80915
   37    35 S   O2Z  _O32    31     1.26430   114.41143   179.25035
   38    33 S   CT   _C17    38     1.53959   109.14731   -82.03899
   39    38 S   HC   _H23    39     1.09525   109.57945    60.81165
   40    38 S   HC   _H24    40     1.09775   109.78898   -56.50433
   41    38 S   CT   _C12    41     1.54027   111.37744  -177.93465
   42    41 S   HC   _H4_    42     1.10009   107.19492   -59.39052
   43    41 S   CT   _C13    43     1.53986   110.12444    56.23091
   44    43 S   HC   _H19    44     1.09644   109.91952  -177.16124
   45    43 S   HC   _H20    45     1.09543   110.81751    64.84908
   46    41 S   CT   _C5_    58     1.55754   114.16959  -177.30972
   47    46 S   HC   _H3_    59     1.09859   106.41578  -177.30608
   48    43 S   CT   _C14    46     1.52587   111.61342   -56.07546
   49    48 S   HC   _H21    47     1.09711   109.40059   177.74597
   50    48 S   HC   _H22    48     1.09780   109.17750   -66.41867
   51    46 S   CT   _C4_    60     1.53696   110.89280    67.33698
   52    51 S   HC   _H7_    61     1.09458   111.86334   -69.45047
   53    51 S   HC   _H8_    62     1.09499   110.96228   170.55011
   54    51 S   HC   _H9_    63     1.09508   110.86431    51.37631
   55    46 S   CT   _C6_    64     1.54237   114.07614   -57.45395
   56    55 S   HC   _H10    65     1.09653   110.06418    76.37485
   57    55 S   HC   _H11    66     1.09413   110.93687   -43.04295
   58    33 S   CT   _C15    49     1.54147   110.40172   155.60856
   59    58 S   HC   _H5_    50     1.09967   108.81677    57.10014
   60    55 S   CO4  _C7_    67     1.52334   113.02279  -161.83002
   61    60 S   O    _O33    68     1.22776   122.82265    20.16902
   62    58 S   CO4  _C18    51     1.52136   113.43247   -61.51750
   63    62 S   O    _O34    52     1.22536   123.19050   131.22785
   64    60 S   CM   _C8_    69     1.49155   115.57921  -163.11949
   65    64 S   HC   _H12    70     1.08695   114.66394   -28.13539
   66    62 S   OS   _O35    53     1.36312   111.20853   -50.44168
   67    64 S   CM   _C9_    71     1.34493   125.33956   150.73329
   68    66 S   CT   _C19    54     1.43029   115.30565  -179.61336
   69    68 S   HC   _H25    55     1.09327   108.09588  -179.14339
   70    68 S   HC   _H26    56     1.09418   110.26313    62.17630
   71    68 S   HC   _H27    57     1.09426   110.31920   -60.46417
   72    67 S   CT   _C10    72     1.50634   119.84420   178.72221
   73    72 S   HC   _H13    73     1.09497   110.31912   117.19604
   74    72 S   HC   _H14    74     1.09502   110.17023  -122.94697
   75    72 S   HC   _H15    75     1.09512   112.43287    -3.02634
   76    67 S   CT   _C11    76     1.50295   125.91713    -2.71570
   77    76 S   HC   _H16    77     1.09450   110.17190   106.17049
   78    76 S   HC   _H17    78     1.09578   110.11994  -134.54933
   79    76 S   HC   _H18    79     1.09226   113.40404   -15.78865
  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  10   5   4   3
  16   8   2   1   1  15   6   5  18   8  12   6   5  12   8   7
   4   3   7   3   2   1   7   4   3   5   3   6   3   6   2  10
   3   4   8   3   2   1   1   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    58    59    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    58    59    62    63    66    46  
   38    39    40    41    48    58    59    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    58    59    62    46    47    51    55  
   40    41    42    43    58    46  
   41    42    43    58    46  
   42    43    44    45    48    49    50    58    46    47    51    52    53    54    55    56    57    60  
   43    44    45    48    46    47    51    55  
   44    45    48    49    50    58    59    62    46    47    51    55  
   45    48    49    50    58    46  
   48    49    50    58    46  
   47    51    52    53    54    55    56    57    60    61    64    48  
   51    52    53    54    55    56    57    60  
   49    50    58    59    62    63    66  
   50    58    59    62  
   58    59    62  
   52    53    54    55    56    57    60  
   53    54    55  
   54    55  
   55  
   56    57    60    61    64    65    67  
   57    60    61    64  
   60    61    64  
   59    62    63    66    68  
   62    63    66  
   61    64    65    67    72    76  
   64    65    67  
   63    66    68    69    70    71  
   66    68  
   65    67    72    73    74    75    76    77    78    79  
   67    72    76  
   68    69    70    71  
   72    73    74    75    76    77    78    79  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    58   268.000  1.529
   58    59   340.000  1.090
   58    62   317.000  1.522
   62    63   570.000  1.229
   62    66   214.000  1.327
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    55   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.522
   60    61   570.000  1.229
   60    64   320.000  1.462
   64    65   340.000  1.080
   64    67   549.000  1.340
   67    72   317.000  1.510
   67    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    48    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    62    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    51    58.35000  112.70000
   41    46    55    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    62    63.00000  111.10000
   50    48    49    33.00000  107.80000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    48    49    37.50000  110.70000
   58    48    50    37.50000  110.70000
   58    62    63    80.00000  120.40000
   58    62    66    81.00000  111.40000
   62    58    59    35.00000  109.50000
   62    66    68    83.00000  116.90000
   66    62    63    83.00000  123.40000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    60    63.00000  111.10000
   51    46    47    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    51    58.35000  112.70000
   55    60    61    80.00000  120.40000
   55    60    64    65.00000  118.62400
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    64    65    40.00000  117.72500
   60    64    67    65.00000  118.96000
   64    60    61    80.00000  123.72100
   64    67    72    70.00000  124.00000
   64    67    76    70.00000  124.00000
   67    64    65    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   67    76    77    35.00000  109.50000
   67    76    78    35.00000  109.50000
   67    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    67    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    62   0.56750  1.0 1.0
   29    33    58    62  -0.07550 -1.0 2.0
   29    33    58    62   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    58    62    63   0.30150 -1.0 2.0
   33    58    62    66   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    62  -0.11250  1.0 3.0
   38    33    58    48   0.56750  1.0 1.0
   38    33    58    48  -0.07550 -1.0 2.0
   38    33    58    48   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    62  -0.95700  1.0 1.0
   38    33    58    62  -0.18200 -1.0 2.0
   38    33    58    62   0.29450  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    51   0.56750  1.0 1.0
   38    41    46    51  -0.07550 -1.0 2.0
   38    41    46    51   0.20000  1.0 3.0
   38    41    46    55   0.56750  1.0 1.0
   38    41    46    55  -0.07550 -1.0 2.0
   38    41    46    55   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    58   0.56750  1.0 1.0
   41    43    48    58  -0.07550 -1.0 2.0
   41    43    48    58   0.20000  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    54   0.15000  1.0 3.0
   41    46    55    56   0.15000  1.0 3.0
   41    46    55    57   0.15000  1.0 3.0
   41    46    55    60  -0.95700  1.0 1.0
   41    46    55    60  -0.18200 -1.0 2.0
   41    46    55    60   0.29450  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   42    41    46    55   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    51   0.56750  1.0 1.0
   43    41    46    51  -0.07550 -1.0 2.0
   43    41    46    51   0.20000  1.0 3.0
   43    41    46    55   0.56750  1.0 1.0
   43    41    46    55  -0.07550 -1.0 2.0
   43    41    46    55   0.20000  1.0 3.0
   43    48   -58    33   0.56750  1.0 1.0
   43    48   -58    33  -0.07550 -1.0 2.0
   43    48   -58    33   0.20000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    62  -0.95700  1.0 1.0
   43    48    58    62  -0.18200 -1.0 2.0
   43    48    58    62   0.29450  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    58   0.15000  1.0 3.0
   48    58    62    63   0.30150 -1.0 2.0
   48    58    62    66   0.36750  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    62  -0.11250  1.0 3.0
   50    48    58    33   0.15000  1.0 3.0
   50    48    58    59   0.15000  1.0 3.0
   50    48    58    62  -0.11250  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   58    62    66    68   1.63150  1.0 1.0
   58    62    66    68   2.92000 -1.0 2.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    66   0.00000  1.0 1.0
   62    66    68    69   0.08050  1.0 3.0
   62    66    68    70   0.08050  1.0 3.0
   62    66    68    71   0.08050  1.0 3.0
   63    62    66    68   3.00000 -1.0 2.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    48   0.56750  1.0 1.0
   46    41    43    48  -0.07550 -1.0 2.0
   46    41    43    48   0.20000  1.0 3.0
   46    55    60    61   0.30150 -1.0 2.0
   46    55    60    64   0.65300  1.0 1.0
   46    55    60    64  -0.03850 -1.0 2.0
   46    55    60    64   0.33900  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   47    46    55    60  -0.11250  1.0 3.0
   51    46    55    56   0.15000  1.0 3.0
   51    46    55    57   0.15000  1.0 3.0
   51    46    55    60  -0.95700  1.0 1.0
   51    46    55    60  -0.18200 -1.0 2.0
   51    46    55    60   0.29450  1.0 3.0
   55    46    51    52   0.15000  1.0 3.0
   55    46    51    53   0.15000  1.0 3.0
   55    46    51    54   0.15000  1.0 3.0
   55    60    64    65   0.04550  1.0 1.0
   55    60    64    65   0.83000 -1.0 2.0
   55    60    64    65  -0.04000  1.0 3.0
   55    60    64    67  -0.33500  1.0 1.0
   55    60    64    67   1.06600 -1.0 2.0
   55    60    64    67  -0.14000  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    64   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    64   0.00000  1.0 1.0
   60    64    67    72   7.00000 -1.0 2.0
   60    64    67    76   7.00000 -1.0 2.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    67   1.00000 -1.0 2.0
   64    67    72    73   0.00000  1.0 1.0
   64    67    72    74   0.00000  1.0 1.0
   64    67    72    75   0.00000  1.0 1.0
   64    67    76    77   0.00000  1.0 1.0
   64    67    76    78   0.00000  1.0 1.0
   64    67    76    79   0.00000  1.0 1.0
   65    64    67    72   7.00000 -1.0 2.0
   65    64    67    76   7.00000 -1.0 2.0
   72    67    76    77   0.34800  1.0 3.0
   72    67    76    78   0.34800  1.0 3.0
   72    67    76    79   0.34800  1.0 3.0
   76    67    72    73   0.34800  1.0 3.0
   76    67    72    74   0.34800  1.0 3.0
   76    67    72    75   0.34800  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   58    66    62    63  10.50000 -1.0 2.0
   55    64    60    61  10.50000 -1.0 2.0
   60    65    64    67  15.00000 -1.0 2.0
   72    76    67    64  15.00000 -1.0 2.0
END
