* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    144    227     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054    92.00868   -65.81106
    3     1 S   H    _H1_     3     1.02114    88.49763    42.90198
    4     1 S   H    _H2_     4     1.02119    32.97163   171.87266
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   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   _C18    36     1.86552    96.81719   161.87495
   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   CM   _C14    37     1.54791   107.05548   159.99607
   38    33 S   CT   _C19    75     1.54321   106.95244    39.41127
   39    38 S   HC   _H19    76     1.08332   109.04371   -62.82221
   40    38 S   HC   _H20    77     1.08364   109.05097   177.16876
   41    38 S   HC   _H21    78     1.08321   109.06093    57.18136
   42    37 S   N4   _N6_    38     1.36557   118.18015   103.98723
   43    37 S   CMA  _C15    71     1.34674   122.28348   -72.11841
   44    43 S   OM   _O3_    72     1.26284   126.13088  -179.96574
   45    42 S   C4   _C13    39     1.35453   137.65182  -162.24387
   46    45 S   O    _O33    40     1.20866   134.40702    -3.63367
   47    42 S   C4T  _C17    43     1.45058   125.73007    22.92589
   48    47 S   HC   _H18    44     1.09779   112.45003    74.49862
   49    43 S   OH   _O4_    73     1.40633   111.55941     0.01978
   50    49 S   HO   _H15    74     0.97407   105.36757   179.98022
   51    45 S   C4T  _C12    41     1.55335    89.62343   172.64723
   52    51 S   HC   _H14    42     1.09582   112.95929   124.50404
   53    47 S   S    _S1_    45     1.80220   110.27716   -54.91277
   54    33 S   CT   _C16    46     1.55645   106.33458   -74.62357
   55    54 S   HC   _H16    47     1.09665   111.80148    45.32268
   56    54 S   HC   _H17    48     1.09792   109.70500   162.55413
   57    51 S   N    _N5_    49     1.46290   113.42276  -108.39464
   58    57 S   H    _H13    50     1.02275   118.57635   111.74282
   59    57 S   C    _C5_    51     1.39430   122.83942   -68.19576
   60    59 S   O    _O1_    52     1.23123   123.93981    -0.04423
   61    59 S   CT1  _C4_    53     1.52279   113.43568  -180.00000
   62    61 S   HC   _H5_    54     1.09414   111.34687    -0.00000
   63    61 S   NT   _N4_    55     1.45974   107.26255  -119.00581
   64    63 S   H    _H3_    56     0.99672   118.08663  -156.12915
   65    63 S   H    _H4_    57     0.99721   118.07722    37.26930
   66    61 S   CM   _C9_    58     1.49278   108.53120   119.33171
   67    66 S   CM   _C8_    59     1.34486   121.94473    88.81827
   68    67 S   HC   _H8_    60     1.08636   119.87740     0.09691
   69    67 S   CT   _C10    61     1.50179   123.65894  -179.93147
   70    69 S   HC   _H9_    62     1.09594   108.79057  -121.56874
   71    69 S   HC   _H10    63     1.09546   108.76092   121.66725
   72    69 S   CM   _C6_    64     1.49915   113.94732     0.06256
   73    72 S   HC   _H6_    65     1.08574   117.67247   179.98022
   74    72 S   CM   _C7_    66     1.33932   122.96687    -0.08156
   75    74 S   HC   _H7_    67     1.08696   119.26616   179.98022
   76    66 S   CT   _C11    68     1.51074   116.09365   -91.08788
   77    76 S   HC   _H11    69     1.09720   109.05158    58.57250
   78    76 S   HC   _H12    70     1.09619   109.06321   -58.67200
  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
  15   2   1   1  18   9   3   2   1  12   6   2   9   4  10   5
   1   1   8   4   4   2   1   1   7   3   9   4  12   6   5   2
   1  11  10   5   7   4   3   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    53    54    55    56    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    45    47    53    54    55    56    43    44    49    38    39    40    41  
   35    36  
   36  
    0  
   42    45    46    51    47    48    53    54    55    56    43    44    49    50    38    39    40    41  
   39    40    41    42    43    53    54    55    56  
   40    41    54  
   41    54  
   54  
   45    46    51    52    47    48    53    54    57    43    44    49  
   44    49    50    45    47    54  
   49    50  
   46    51    52    47    48    53    57    58    59  
   51    52    47    57  
   48    53    54    55    56    57    58    59    51    52  
   53    54    57    51    52  
   50  
    0  
   52    53    54    57    58    59    60    61  
   53    57    58    59  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    66  
   59    60    61  
   60    61    62    63    64    65    66    67    76  
   61    62    63    66  
   62    63    64    65    66    67    68    69    74    76    77    78  
   63    64    65    66    67    76  
   64    65    66    67    76  
   65    66  
   66  
   67    68    69    70    71    72    74    75    76    77    78  
   68    69    70    71    72    73    74    76    77    78  
   69    70    71    72    76  
   70    71    72    73    74    75    76  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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
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  1.510
   33    54   268.000  1.529
   33    38   268.000  1.529
   37    42   400.000  1.384
   37    43   465.000  1.376
   42    45   440.000  1.369
   42    47   305.000  1.456
   45    46   930.000  1.212
   45    51   250.000  1.540
   51    52   340.000  1.090
   51    47   268.000  1.529
   51    57   337.000  1.449
   47    48   340.000  1.090
   47    53   200.000  1.824
   53    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    59   490.000  1.335
   59    60   570.000  1.229
   59    61   317.000  1.522
   61    62   340.000  1.090
   61    63   305.000  1.457
   61    66   317.000  1.510
   63    64   434.000  1.010
   63    65   434.000  1.010
   66    67   549.000  1.340
   66    76   317.000  1.510
   67    68   340.000  1.080
   67    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   74    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   43    44   745.000  1.250
   43    49   510.000  1.338
   49    50   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  113.82800
   33    37    43    70.00000  124.00000
   33    54    53    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    45    50.00000  132.10000
   37    42    47    50.00000  132.70000
   37    43    44    65.00000  137.10300
   37    43    49    80.00000  121.38400
   42    45    46    75.00000  131.60000
   42    45    51    95.00000   92.72400
   42    47    51   105.00000   87.49700
   42    47    48    50.00000  112.01000
   42    47    53    80.00000  108.62000
   45    51    52    40.00000  113.37500
   45    51    47   100.00000   86.36000
   45    51    57    75.00000  110.24000
   51    45    46    60.00000  136.58000
   51    47    48    37.50000  110.70000
   51    47    53    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    59    50.00000  121.90000
   47    42    45   100.00000   93.00000
   47    51    52    37.50000  110.70000
   47    53    54    85.00000   99.86700
   53    47    48    45.00000  109.41400
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    52    50.00000  112.01000
   57    51    47    80.00000  110.05700
   57    59    60    80.00000  122.90000
   57    59    61    70.00000  116.60000
   59    57    58    35.00000  119.80000
   59    61    62    35.00000  109.50000
   59    61    63    75.00000  111.54000
   59    61    66    70.00000  115.00700
   61    59    60    80.00000  120.40000
   61    63    64    50.00000  111.55300
   61    63    65    50.00000  111.55300
   61    66    67    70.00000  124.00000
   61    66    76    65.00000  117.92700
   63    61    62    50.00000  109.55000
   65    63    64    43.60000  106.40000
   66    61    62    35.00000  109.50000
   66    61    63    75.00000  110.70900
   66    67    68    35.00000  120.00000
   66    67    69    70.00000  124.00000
   66    76    74    70.00000  110.12100
   66    76    77    35.00000  109.50000
   66    76    78    35.00000  109.50000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    70.00000  110.12100
   69    67    68    35.00000  117.00000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    35.00000  120.00000
   72    74    76    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   76    66    67    70.00000  124.00000
   76    74    75    35.00000  117.00000
   78    76    77    33.00000  107.80000
   43    37    42    75.00000  120.83300
   43    49    50    70.00000  107.45700
   49    43    44   115.00000  116.36000
   38    33    37    70.00000  112.02700
   38    33    54    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    54    53   0.56750  1.0 1.0
   29    33    54    53  -0.07550 -1.0 2.0
   29    33    54    53   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  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   0.15000  1.0 3.0
   33    37    42    45   0.00000  1.0 1.0
   33    37    42    47   0.00000  1.0 1.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    49   7.00000 -1.0 2.0
   37    33    54    53   0.56750  1.0 1.0
   37    33    54    53  -0.07550 -1.0 2.0
   37    33    54    53   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    45    46   3.00000 -1.0 2.0
   37    42    45    51   3.00000 -1.0 2.0
   37    42   -47    51   0.00000  1.0 1.0
   37    42    47    48   0.00000  1.0 1.0
   37    42   -47    53   0.00000  1.0 1.0
   37    43    49    50  -0.66100  1.0 1.0
   37    43    49    50   1.20850 -1.0 2.0
   37    43    49    50  -0.36000  1.0 3.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    49   7.00000 -1.0 2.0
   42    45    51    52   0.00000  1.0 1.0
   42    45   -51    47   3.00000 -1.0 2.0
   42    45    51    57   0.00000  1.0 1.0
   42    47    53    54   0.01700  1.0 1.0
   42    47    53    54  -0.23550 -1.0 2.0
   42    47    53    54   0.21350  1.0 3.0
   45    42   -47    51   0.00000  1.0 1.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    53   0.00000  1.0 1.0
   45    51   -47    42   3.00000 -1.0 2.0
   45    51   -47    48   0.15000  1.0 3.0
   45    51   -47    53   0.00000  1.0 1.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    59  -0.42300  1.0 1.0
   45    51    57    59  -0.07000 -1.0 2.0
   45    51    57    59   0.04150  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    47  -0.11250  1.0 1.0
   46    45    51    47   0.11400 -1.0 2.0
   46    45    51    47  -0.28950  1.0 3.0
   46    45    51    57   0.30150 -1.0 2.0
   51    47    53    54   0.25150  1.0 1.0
   51    47    53    54  -1.17200 -1.0 2.0
   51    47    53    54   0.53050  1.0 3.0
   51    57    59    60   3.04450 -1.0 2.0
   51    57    59    61   1.15000  1.0 1.0
   51    57    59    61   3.04450 -1.0 2.0
   52    51   -47    42   0.15000  1.0 3.0
   52    51    47    48   0.15000  1.0 3.0
   52    51    47    53   0.00000  1.0 1.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   47    42   -45    46   3.00000 -1.0 2.0
   47    42   -45    51   3.00000 -1.0 2.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59  -0.43950  1.0 1.0
   47    51    57    59  -0.08100 -1.0 2.0
   47    51    57    59   0.03350  1.0 3.0
   47    53   -54    33  -0.25000 -1.0 2.0
   47    53   -54    33  -0.01800  1.0 3.0
   47    53    54    55   0.32350  1.0 3.0
   47    53    54    56   0.32350  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   54    33   -37    42  -0.93550  1.0 1.0
   54    33   -37    42   0.38900 -1.0 2.0
   54    33   -37    42   0.16950  1.0 3.0
   54    33    37    43   0.09850  1.0 1.0
   54    33    37    43   0.15250 -1.0 2.0
   54    33    37    43  -0.50650  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33    38    41   0.15000  1.0 3.0
   57    51   -47    42   2.20050  1.0 1.0
   57    51   -47    42   0.63450 -1.0 2.0
   57    51   -47    42  -0.91300  1.0 3.0
   57    51    47    48   0.15000  1.0 3.0
   57    51    47    53   0.00000  1.0 1.0
   57    59    61    62   0.00000  1.0 1.0
   57    59    61    63   0.00000  1.0 1.0
   57    59    61    66   0.00000  1.0 1.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   2.45000 -1.0 2.0
   59    61    63    64   0.21900  1.0 1.0
   59    61    63    64  -0.24900 -1.0 2.0
   59    61    63    64   0.15200  1.0 3.0
   59    61    63    65   0.21900  1.0 1.0
   59    61    63    65  -0.24900 -1.0 2.0
   59    61    63    65   0.15200  1.0 3.0
   59    61    66    67  -0.51250  1.0 1.0
   59    61    66    67  -0.88800 -1.0 2.0
   59    61    66    67   0.08850  1.0 3.0
   59    61    66    76   0.17250  1.0 1.0
   59    61    66    76  -0.04100 -1.0 2.0
   59    61    66    76  -0.33850  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.30150 -1.0 2.0
   60    59    61    66   0.30150 -1.0 2.0
   61    66    67    68   7.00000 -1.0 2.0
   61    66    67    69   7.00000 -1.0 2.0
   61    66    76    74   0.09700  1.0 1.0
   61    66    76    74   0.15600 -1.0 2.0
   61    66    76    74  -0.50800  1.0 3.0
   61    66    76    77   0.34800  1.0 3.0
   61    66    76    78   0.34800  1.0 3.0
   62    61    63    64   0.20000  1.0 3.0
   62    61    63    65   0.20000  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    76   0.34800  1.0 3.0
   63    61    66    67   0.90200  1.0 1.0
   63    61    66    67   0.57900 -1.0 2.0
   63    61    66    67  -0.62100  1.0 3.0
   63    61    66    76   0.52100  1.0 1.0
   63    61    66    76  -0.20350 -1.0 2.0
   63    61    66    76   0.29750  1.0 3.0
   66    61    63    64   0.12450  1.0 1.0
   66    61    63    64  -0.40750 -1.0 2.0
   66    61    63    64   0.30300  1.0 3.0
   66    61    63    65   0.12450  1.0 1.0
   66    61    63    65  -0.40750 -1.0 2.0
   66    61    63    65   0.30300  1.0 3.0
   66    67    69    70   0.00000  1.0 1.0
   66    67    69    71   0.00000  1.0 1.0
   66    67    69    72  -0.28300  1.0 1.0
   66    67    69    72   0.26700 -1.0 2.0
   66    67    69    72  -0.63300  1.0 3.0
   67    66    76    74  -0.28300  1.0 1.0
   67    66    76    74   0.26700 -1.0 2.0
   67    66    76    74  -0.63300  1.0 3.0
   67    66    76    77   0.00000  1.0 1.0
   67    66    76    78   0.00000  1.0 1.0
   67    69    72    73   0.00000  1.0 1.0
   67    69   -72    74  -0.28300  1.0 1.0
   67    69   -72    74   0.26700 -1.0 2.0
   67    69   -72    74  -0.63300  1.0 3.0
   68    67    69    70   0.33100  1.0 3.0
   68    67    69    71   0.33100  1.0 3.0
   68    67    69    72   0.00000  1.0 1.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    76   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74   -76    66  -0.28300  1.0 1.0
   72    74   -76    66   0.26700 -1.0 2.0
   72    74   -76    66  -0.63300  1.0 3.0
   72    74    76    77   0.00000  1.0 1.0
   72    74    76    78   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    76   7.00000 -1.0 2.0
   75    74    76    66   0.00000  1.0 1.0
   75    74    76    77   0.33100  1.0 3.0
   75    74    76    78   0.33100  1.0 3.0
   76    66    67    68   7.00000 -1.0 2.0
   76    66   -67    69   7.00000 -1.0 2.0
   43    37    42    45   0.00000  1.0 1.0
   43    37    42    47   0.00000  1.0 1.0
   44    43    49    50   2.00000 -1.0 2.0
   38    33    37    42  -0.93550  1.0 1.0
   38    33    37    42   0.38900 -1.0 2.0
   38    33    37    42   0.16950  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    54    53   0.44750  1.0 1.0
   38    33    54    53  -0.17800 -1.0 2.0
   38    33    54    53   0.20200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  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    42    37    43   1.10000 -1.0 2.0
   47    45    42    37   1.00000 -1.0 2.0
   42    51    45    46  10.50000 -1.0 2.0
   58    59    57    51   1.00000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   61    76    66    67   1.10000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   69    73    72    74   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   44    49    43    37   1.10000 -1.0 2.0
END
