* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    152    242     444
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120    97.94012   -54.22196
    3     1 S   H    _H1_     3     1.02095    81.16665    53.60946
    4     1 S   H    _H2_     4     1.02114    35.47304  -165.44608
    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     1.08491   110.62044    58.72541
   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     1.86408    96.66604  -178.11529
   34    33 S   HC   _H3_    37     1.10187   104.18881   -31.66055
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C16    38     1.57730   109.53760    79.96068
   39    38 S   OM   _O19    39     1.32636   112.10439    54.79235
   40    38 S   HC   _H37    40     1.10211   103.74979   -73.05073
   41    38 S   CT   _C17    41     1.55026   111.10627   174.42269
   42    41 S   HC   _H38    42     1.09966   111.12877  -175.33889
   43    41 S   CT   _C12    43     1.52902   112.71160   -52.91170
   44    43 S   HC   _H30    44     1.09644   109.93939   -65.70044
   45    43 S   HC   _H31    45     1.09829   109.30589   178.06498
   46    41 S   OH   _O22    76     1.43083   109.50058    67.68201
   47    46 S   HO   _H43    77     0.96756   106.24224    56.78190
   48    43 S   CT   _C15    46     1.53099   111.12025    58.65351
   49    48 S   HC   _H36    47     1.10058   105.96788    70.92171
   50    33 S   CT   _C19    48     1.57507   113.97877  -146.11453
   51    48 S   NT   _N18    59     1.48526   110.66634  -169.50626
   52    50 S   CA   _C5_    49     1.56346   115.46524    73.68790
   53    51 S   CT   _C13    60     1.47559   105.37287    83.20832
   54    53 S   HC   _H32    61     1.09734   108.93585   -91.85680
   55    53 S   HC   _H33    62     1.09639   113.26595   150.47509
   56    52 S   CA   _C4_    50     1.40384   124.30542   -18.85700
   57    56 S   HA   _H25    51     1.08046   123.07251     3.19623
   58    50 S   CT   _C11    63     1.54755   114.18576   -50.85480
   59    58 S   HC   _H28    64     1.09638   112.39187    94.41304
   60    58 S   HC   _H29    65     1.09299   112.66632   -26.76893
   61    56 S   CA   _C7_    52     1.38408   118.90549  -177.84505
   62    61 S   CA   _C8_    53     1.37086   122.24359    -0.44543
   63    62 S   CA   _C9_    54     1.37485   121.43864    -0.62870
   64    62 S   OS   _O21    71     1.35984   112.52908  -179.80021
   65    52 S   CA   _C6_    55     1.43249   117.57859   161.84996
   66    63 S   OS   _O23    66     1.35837   120.40263  -178.52488
   67    64 S   CO   _C14    72     1.44202   100.94804    -0.18023
   68    67 S   HC   _H34    73     1.09576   108.72947  -120.67536
   69    67 S   HC   _H35    74     1.09585   108.67234   121.18090
   70    65 S   CT   _C10    56     1.51491   120.21495    -5.91566
   71    70 S   HC   _H26    57     1.09694   110.29957   131.63552
   72    70 S   HC   _H27    58     1.09821   107.78679  -112.52407
   73    66 S   CT   _C20    67     1.42775   117.15994   -60.88334
   74    73 S   HC   _H40    68     1.09353   109.50561  -179.98022
   75    73 S   HC   _H41    69     1.09256   109.55875    59.15250
   76    73 S   HC   _H42    70     1.09243   108.98010   -60.46754
   77    61 S   OS   _O20    75     1.36276   125.49174   179.75134
  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
  19   8   2   1   1  13   6   5  10   6  12   6   5   2   1  15
   6  14  12  15   9   5   4  10   4   4   1   1   9  10  12   6
   5   5   3   2   1   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    50    52    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    52    56    65    51    53    58    59    60    46  
   38    39    40    41    48    50    52    58  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    50    52    58    46    47  
   40    41    42    43    50    46  
   41    42    43    50    46  
   42    43    44    45    48    49    50    51    46    47  
   43    44    45    48    46    47  
   44    45    48    49    50    52    70    51    53    58    46    47  
   45    48    49    50    51    46  
   48    49    50    51    46  
   47    48  
    0  
   49    50    52    56    65    70    71    72    51    53    54    55    58    59    60  
   50    52    70    51    53    58  
   52    56    57    61    63    65    70    51    53    54    55    58    59    60  
   53    54    55    58    59    60    52    63    65    70    71    72  
   56    57    61    62    63    65    70    71    72    53    58    59    60    66    77  
   54    55    58    59    60    65    70    71    72  
   55    58    59    60    70  
   58    59    60    70  
   57    61    62    63    65    70    58    64    67    77  
   61    62    65    77  
   59    60    65    70  
   60  
    0  
   62    63    65    66    64    67    68    69    77  
   63    65    70    66    73    64    67    68    69    77  
   65    70    71    72    66    73    74    75    76    64    67    77  
   67    68    69    77    65    66  
   70    71    72    66    73  
   73    74    75    76    70  
   68    69    77  
   69    77  
   77  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    50   268.000  1.529
   38    39   570.000  1.307
   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   320.000  1.410
   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   268.000  1.529
   48    51   382.000  1.448
   50    52   317.000  1.510
   50    58   268.000  1.529
   52    56   469.000  1.400
   52    65   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    77   450.000  1.364
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   469.000  1.400
   63    66   450.000  1.364
   65    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    51   382.000  1.448
   51    53   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   66    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   320.000  1.380
   46    47   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    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    50    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    50    48    58.35000  112.70000
   33    50    52    70.00000  112.17500
   33    50    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   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    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    58.35000  112.70000
   43    48    51    56.20000  109.47000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    50    52    70.00000  112.17500
   48    50    58    58.35000  112.70000
   48    51    70    51.80000  107.20000
   48    51    53    51.80000  107.20000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    56    70.00000  120.00000
   50    52    65    70.00000  120.00000
   50    58    53    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   52    56    57    35.00000  120.00000
   52    56    61    63.00000  120.00000
   52    65    63    63.00000  120.00000
   52    65    70    70.00000  120.00000
   56    61    62    63.00000  120.00000
   56    61    77    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    63    63.00000  120.00000
   61    62    64    70.00000  120.00000
   61    77    67   100.00000  112.36700
   62    63    65    63.00000  120.00000
   62    63    66    70.00000  120.00000
   62    64    67   100.00000  112.36700
   63    65    70    70.00000  120.00000
   63    66    73    75.00000  111.00000
   65    52    56    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    51    75.00000  112.33000
   70    51    53    51.80000  107.20000
   72    70    71    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    56.20000  109.47000
   51    70    71    35.00000  109.50000
   51    70    72    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    58    56.20000  109.47000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   55    53    54    33.00000  107.80000
   58    50    52    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   66    63    65    70.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    62    63    70.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    77    92.60000  111.55000
   69    67    68    33.00000  109.50000
   77    61    62    70.00000  120.00000
   77    67    68    35.00000  109.50000
   77    67    69    35.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    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    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  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    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    52   0.56750  1.0 1.0
   29    33    50    52  -0.07550 -1.0 2.0
   29    33    50    52   0.20000  1.0 3.0
   29    33    50    58   0.44750  1.0 1.0
   29    33    50    58  -0.17800 -1.0 2.0
   29    33    50    58   0.20200  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   0.86500  1.0 1.0
   33    38    41    46  -0.17500 -1.0 2.0
   33    38    41    46   0.20800  1.0 3.0
   33    50    52    56   0.04150 -1.0 2.0
   33    50    52    65   0.04150 -1.0 2.0
   33    50    58    53   0.56750  1.0 1.0
   33    50    58    53  -0.07550 -1.0 2.0
   33    50    58    53   0.20000  1.0 3.0
   33    50    58    59   0.15000  1.0 3.0
   33    50    58    60   0.15000  1.0 3.0
   34    33    38    39   0.23400  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    50    48   0.15000  1.0 3.0
   34    33    50    52   0.43200  1.0 3.0
   34    33    50    58   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    52  -0.03700  1.0 1.0
   38    33    50    52   0.37200 -1.0 2.0
   38    33    50    52  -0.47300  1.0 3.0
   38    33    50    58   0.56750  1.0 1.0
   38    33    50    58  -0.07550 -1.0 2.0
   38    33    50    58   0.20000  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  -0.11600  1.0 1.0
   38    41    46    47  -0.09450 -1.0 2.0
   38    41    46    47   0.21250  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   3.69350  1.0 1.0
   39    38    41    46  -1.82950 -1.0 2.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.56750  1.0 1.0
   41    43    48    50  -0.07550 -1.0 2.0
   41    43    48    50   0.20000  1.0 3.0
   41    43    48    51   1.53400  1.0 1.0
   41    43    48    51  -0.09950 -1.0 2.0
   41    43    48    51   0.05700  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   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48   -50    33   0.56750  1.0 1.0
   43    48   -50    33  -0.07550 -1.0 2.0
   43    48   -50    33   0.20000  1.0 3.0
   43    48    50    52  -0.03700  1.0 1.0
   43    48    50    52   0.37200 -1.0 2.0
   43    48    50    52  -0.47300  1.0 3.0
   43    48    50    58   0.56750  1.0 1.0
   43    48    50    58  -0.07550 -1.0 2.0
   43    48    50    58   0.20000  1.0 3.0
   43    48    51    70   0.23450  1.0 1.0
   43    48    51    70   0.02050 -1.0 2.0
   43    48    51    70   0.25250  1.0 3.0
   43    48    51    53   0.23450  1.0 1.0
   43    48    51    53   0.02050 -1.0 2.0
   43    48    51    53   0.25250  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    51   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    51   0.15000  1.0 3.0
   48    50    52    56   0.04150 -1.0 2.0
   48    50    52    65   0.04150 -1.0 2.0
   48    50   -58    53   0.56750  1.0 1.0
   48    50   -58    53  -0.07550 -1.0 2.0
   48    50   -58    53   0.20000  1.0 3.0
   48    50    58    59   0.15000  1.0 3.0
   48    50    58    60   0.15000  1.0 3.0
   48    51    53    54   0.28000  1.0 3.0
   48    51    53    55   0.28000  1.0 3.0
   48    51   -53    58   0.23450  1.0 1.0
   48    51   -53    58   0.02050 -1.0 2.0
   48    51   -53    58   0.25250  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    58   0.15000  1.0 3.0
   49    48    51    70   0.28000  1.0 3.0
   49    48    51    53   0.28000  1.0 3.0
   50    33    38    39   0.62750  1.0 1.0
   50    33    38    39  -0.30950 -1.0 2.0
   50    33    38    39   0.27300  1.0 3.0
   50    33    38    40   0.15000  1.0 3.0
   50    33   -38    41   0.56750  1.0 1.0
   50    33   -38    41  -0.07550 -1.0 2.0
   50    33   -38    41   0.20000  1.0 3.0
   50    48    51    70   0.23450  1.0 1.0
   50    48    51    70   0.02050 -1.0 2.0
   50    48    51    70   0.25250  1.0 3.0
   50    48   -51    53   0.23450  1.0 1.0
   50    48   -51    53   0.02050 -1.0 2.0
   50    48   -51    53   0.25250  1.0 3.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    61   3.62500 -1.0 2.0
   50    52    65    63   3.62500 -1.0 2.0
   50    52   -65    70   3.62500 -1.0 2.0
   52    50    58    53  -0.03700  1.0 1.0
   52    50    58    53   0.37200 -1.0 2.0
   52    50    58    53  -0.47300  1.0 3.0
   52    50    58    59   0.43200  1.0 3.0
   52    50    58    60   0.43200  1.0 3.0
   52    56    61    62   3.62500 -1.0 2.0
   52    56    61    77   3.62500 -1.0 2.0
   52    65    70    71   0.00000  1.0 1.0
   52    65    70    72   0.00000  1.0 1.0
   52    65    70    51   0.18550 -1.0 2.0
   52    65    70    51   0.14000  1.0 3.0
   56    52    65    63   3.62500 -1.0 2.0
   56    52    65    70   3.62500 -1.0 2.0
   56    61   -62    63   3.62500 -1.0 2.0
   56    61    62    64   3.62500 -1.0 2.0
   56    61    77    67   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    77   3.62500 -1.0 2.0
   61    62    63    65   3.62500 -1.0 2.0
   61    62    63    66   3.62500 -1.0 2.0
   61    62   -64    67   1.63200 -1.0 2.0
   62    61   -77    67   1.63200 -1.0 2.0
   62    63   -65    52   3.62500 -1.0 2.0
   62    63    65    70   3.62500 -1.0 2.0
   62    63    66    73   1.63200 -1.0 2.0
   62    64    67    68   0.08050  1.0 3.0
   62    64    67    69   0.08050  1.0 3.0
   62    64   -67    77  -0.25600  1.0 1.0
   62    64   -67    77  -0.40050 -1.0 2.0
   62    64   -67    77   0.34700  1.0 3.0
   63    62    64    67   1.63200 -1.0 2.0
   63    65    70    71   0.00000  1.0 1.0
   63    65    70    72   0.00000  1.0 1.0
   63    65    70    51   0.18550 -1.0 2.0
   63    65    70    51   0.14000  1.0 3.0
   63    66    73    74   0.08050  1.0 3.0
   63    66    73    75   0.08050  1.0 3.0
   63    66    73    76   0.08050  1.0 3.0
   65    52    56    57   3.62500 -1.0 2.0
   65    52   -56    61   3.62500 -1.0 2.0
   65    63    66    73   1.63200 -1.0 2.0
   65    70   -51    48   0.82600  1.0 1.0
   65    70   -51    48  -0.32100 -1.0 2.0
   65    70   -51    48   1.02000  1.0 3.0
   65    70    51    53   0.82600  1.0 1.0
   65    70    51    53  -0.32100 -1.0 2.0
   65    70    51    53   1.02000  1.0 3.0
   70    51    53    54   0.28000  1.0 3.0
   70    51    53    55   0.28000  1.0 3.0
   70    51    53    58   0.23450  1.0 1.0
   70    51    53    58   0.02050 -1.0 2.0
   70    51    53    58   0.25250  1.0 3.0
   71    70    51    48   0.28000  1.0 3.0
   71    70    51    53   0.28000  1.0 3.0
   72    70    51    48   0.28000  1.0 3.0
   72    70    51    53   0.28000  1.0 3.0
   51    48    50    33   1.53400  1.0 1.0
   51    48    50    33  -0.09950 -1.0 2.0
   51    48    50    33   0.05700  1.0 3.0
   51    48   -50    52   0.83750  1.0 1.0
   51    48   -50    52   0.32200 -1.0 2.0
   51    48   -50    52   0.70600  1.0 3.0
   51    48   -50    58   1.53400  1.0 1.0
   51    48   -50    58  -0.09950 -1.0 2.0
   51    48   -50    58   0.05700  1.0 3.0
   51    53   -58    50   1.53400  1.0 1.0
   51    53   -58    50  -0.09950 -1.0 2.0
   51    53   -58    50   0.05700  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   54    53    58    50   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   55    53    58    50   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   58    50    52    56   0.04150 -1.0 2.0
   58    50    52    65   0.04150 -1.0 2.0
   66    63    65    52   3.62500 -1.0 2.0
   66    63    65    70   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   64    62    63    66   3.62500 -1.0 2.0
   64    67   -77    61  -0.25600  1.0 1.0
   64    67   -77    61  -0.40050 -1.0 2.0
   64    67   -77    61   0.34700  1.0 3.0
   68    67    77    61   0.08050  1.0 3.0
   69    67    77    61   0.08050  1.0 3.0
   77    61    62    63   3.62500 -1.0 2.0
   77    61   -62    64   3.62500 -1.0 2.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   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
   37    30    35    36  10.50000 -1.0 2.0
   56    65    52    50   4.00000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
   62    77    61    56   4.00000 -1.0 2.0
   63    64    62    61   4.00000 -1.0 2.0
   65    66    63    62   4.00000 -1.0 2.0
   63    70    65    52   4.00000 -1.0 2.0
END
