* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    150    238     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093   101.93307   -43.85141
    3     1 S   H    _H1_     3     1.02106    74.46074    62.48882
    4     1 S   H    _H2_     4     1.02080    39.74672  -148.82813
    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     1.08519   110.01707   179.21765
   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   _C14    36     1.86789    96.43090   161.87347
   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   CO4  _C6_    37     1.52225   104.56411    39.98487
   38    37 S   O    _O20    38     1.23410   121.39610    55.78951
   39    33 S   NTH0 _N17    55     1.48273   109.19558   160.04219
   40    37 S   CM   _C4_    39     1.49842   119.35021  -124.89625
   41    40 S   CM   _C5_    40     1.34559   121.38387   -14.23075
   42    40 S   CT   _C16    75     1.50624   114.39495   168.46312
   43    42 S   HC   _H32    76     1.08427   109.06960   -92.83243
   44    42 S   HC   _H33    77     1.08455   109.07380   146.94657
   45    42 S   HC   _H34    78     1.08525   109.01601    27.34065
   46    41 S   CO4  _C7_    41     1.49790   119.50627     2.70516
   47    46 S   O    _O21    42     1.22939   119.15979  -158.03922
   48    41 S   NE   _N18    72     1.36749   126.31294  -175.80525
   49    48 S   H    _H41    73     0.99361   118.33689    -0.11869
   50    48 S   H    _H42    74     0.99496   118.27997  -180.00000
   51    33 S   CT   _C10    43     1.52887   108.99025   -84.92360
   52    51 S   HC   _H28    44     1.09395   111.51568    34.28569
   53    51 S   CT   _C11    45     1.54029   102.61246   -82.88833
   54    53 S   HC   _H29    46     1.11514   104.69001    82.29667
   55    53 S   CO   _C15    47     1.53709   105.41375   -29.70404
   56    53 S   CT   _C18    63     1.52222   118.95710  -163.19213
   57    56 S   HC   _H38    64     1.09025   110.07318  -179.97202
   58    56 S   HC   _H39    65     1.09085   110.07027    59.06263
   59    55 S   C3T  _C13    48     1.49632   117.37193  -105.17390
   60    59 S   HC   _H31    49     1.08987   115.91596  -102.25219
   61    55 S   OS   _O24    58     1.43175   107.69783   133.29512
   62    56 S   OS   _O23    66     1.41654   108.65768   -60.45040
   63    59 S   C3T  _C12    50     1.47750   107.29180   121.41629
   64    63 S   HC   _H30    51     1.07642   120.95707   132.64387
   65    61 S   CT   _C17    59     1.41793   111.27246  -160.00278
   66    65 S   HC   _H35    60     1.09330   109.50291   180.00000
   67    65 S   HC   _H36    61     1.09226   109.55249    59.21820
   68    65 S   HC   _H37    62     1.09213   108.97926   -60.45252
   69    62 S   CO4  _C8_    67     1.37099   116.32194   179.97202
   70    69 S   O    _O22    68     1.22676   124.72134    -0.02798
   71    63 S   CT   _C9_    52     1.48931   109.29010    -7.25269
   72    71 S   HC   _H26    53     1.09391   108.67649   125.21613
   73    71 S   HC   _H27    54     1.08768   110.72016  -117.65350
   74    59 S   NTH  _N16    56     1.45773   125.02904    57.32216
   75    74 S   H    _H40    57     1.00963   113.74332    -8.59475
   76    69 S   N    _N19    69     1.37277   110.97654  -179.98022
   77    76 S   H    _H43    70     1.01457   119.34514  -180.00000
   78    76 S   H    _H44    71     1.01491   121.41596    -0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  20   2   1   1  15   5  18  11  12   5   2   1   1  10   4   3
   1   1  11   4  14   7  18   8   3   2  10   6   7   5   6   5
   3   2   1   1   4   3   4   2   1   1   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    46    51    52    53    55    71    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    51    52    53    54    55    59    63    71    72    73    39    61    56    42  
   35    36  
   36  
    0  
   38    40    41    46    51    52    53    55    71    39    48    42    43    44    45  
   40    41    51    39    42  
   74    61    65    56    40    46    51    52    53    54    55    59    60    63    64    71    72    73  
   41    46    47    51    48    49    50    42    43    44    45  
   46    47    51    52    53    48    49    50    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    51    52    53    54    55    56    48    49    50  
   51    52    53    48  
   49    50    51  
   50  
    0  
   52    53    54    55    59    71    61    56    57    58    62  
   53    54    55    56  
   54    55    59    60    63    71    74    61    65    56    57    58    62    69  
   55    59    61    56    57    58    62  
   59    60    63    64    71    72    73    74    75    61    65    66    67    68    56    57    58    62  
   57    58    62    69    70    76    59    61  
   58    62    69  
   62    69  
   60    63    64    71    72    73    74    75    61    65  
   63    64    71    74    75    61  
   65    66    67    68    63    71    74  
   69    70    76    77    78  
   64    71    72    73    74    75  
   71    72    73    74    75  
   66    67    68  
   67    68  
   68  
    0  
   70    76    77    78  
   76    77    78  
   72    73    74    75  
   73    74  
   74  
   75  
    0  
   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   0.377500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   71   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   77   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   78   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    51   268.000  1.529
   33    39   310.000  1.447
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    46   320.000  1.462
   41    48   425.000  1.378
   46    47   570.000  1.229
   46    51   317.000  1.522
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   250.000  1.527
   53    56   268.000  1.529
   55    59   275.000  1.510
   55    39   310.000  1.447
   55    61   320.000  1.380
   59    60   340.000  1.088
   59    63   260.000  1.509
   59    74   315.000  1.448
   63    64   340.000  1.088
   63    71   275.000  1.510
   63    74   315.000  1.448
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   310.000  1.447
   74    75   500.000  1.015
   61    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   320.000  1.410
   62    69   214.000  1.327
   69    70   570.000  1.229
   69    76   435.000  1.380
   76    77   434.000  1.010
   76    78   434.000  1.010
   48    49   434.000  1.010
   48    50   434.000  1.010
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    51    46    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    39    55    80.00000  110.40700
   33    39    71    80.00000  110.40700
   37    40    41    65.00000  118.96000
   37    40    42    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    41    46    65.00000  118.96000
   40    41    48    70.00000  124.03900
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   41    46    47    80.00000  123.72100
   41    46    51    65.00000  118.62400
   41    48    49    35.00000  114.50000
   41    48    50    35.00000  114.50000
   46    51    52    35.00000  109.50000
   46    51    53    63.00000  111.10000
   51    33    37    63.00000  111.10000
   51    46    47    80.00000  120.40000
   51    53    54    37.50000  110.70000
   51    53    55    75.00000  109.43000
   51    53    56    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    59    65.00000  112.71400
   53    55    39    75.00000  113.73300
   53    55    61    90.00000  108.56700
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    62    50.00000  109.50000
   55    53    54    45.00000  108.72000
   55    59    60    40.00000  115.04500
   55    59    63    60.00000  120.94000
   55    59    74    80.00000  104.84000
   55    39    71    80.00000  110.40700
   55    61    65    60.00000  109.50000
   59    63    64    37.50000  117.20000
   59    63    71    60.00000  120.94000
   59    63    74    30.00000   60.00000
   59    74    63    10.00000   60.00000
   59    74    75    50.00000  109.23200
   63    59    60    37.50000  117.20000
   63    71    72    45.00000  109.38400
   63    71    73    45.00000  109.38400
   63    71    39    75.00000  113.73300
   63    74    75    50.00000  109.23200
   71    63    64    40.00000  115.04500
   73    71    72    33.00000  107.80000
   39    33    37    75.00000  112.82000
   39    33    51    75.00000  113.73300
   39    55    59    75.00000  113.73300
   39    71    72    50.00000  110.15500
   39    71    73    50.00000  110.15500
   74    59    60    50.00000  110.59500
   74    59    63    30.00000   60.00000
   74    63    64    50.00000  110.59500
   74    63    71    80.00000  111.29100
   61    55    59    90.00000  108.56700
   61    55    39   100.00000  112.06800
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    75.00000  109.43000
   56    62    69    83.00000  116.90000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   62    69    70    83.00000  123.40000
   62    69    76   110.00000  108.75700
   69    76    77    50.00000  116.34900
   69    76    78    50.00000  116.34900
   76    69    70    85.00000  125.96000
   78    76    77    35.00000  120.00000
   48    41    46    70.00000  117.92000
   50    48    49    35.00000  109.00000
   42    40    41    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    51    46   0.56750  1.0 1.0
   29    33    51    46  -0.07550 -1.0 2.0
   29    33    51    46   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    55   0.23200  1.0 1.0
   29    33    39    55   0.02100 -1.0 2.0
   29    33    39    55   0.24950  1.0 3.0
   29    33    39    71   0.23200  1.0 1.0
   29    33    39    71   0.02100 -1.0 2.0
   29    33    39    71   0.24950  1.0 3.0
   33    37    40    41  -0.33500  1.0 1.0
   33    37    40    41   1.06600 -1.0 2.0
   33    37    40    41  -0.14000  1.0 3.0
   33    37    40    42   0.25700  1.0 1.0
   33    37    40    42   0.66200 -1.0 2.0
   33    37    40    42   0.04450  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51   -53    55   3.97050  1.0 1.0
   33    51    53    56   0.56750  1.0 1.0
   33    51    53    56  -0.07550 -1.0 2.0
   33    51    53    56   0.20000  1.0 3.0
   37    33    51    46   0.11950  1.0 1.0
   37    33    51    46   0.20300 -1.0 2.0
   37    33    51    46  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    53  -0.95700  1.0 1.0
   37    33    51    53  -0.18200 -1.0 2.0
   37    33    51    53   0.29450  1.0 3.0
   37    33    39    55  -1.76800  1.0 1.0
   37    33    39    55   1.02600 -1.0 2.0
   37    33    39    55   0.19700  1.0 3.0
   37    33    39    71  -1.76800  1.0 1.0
   37    33    39    71   1.02600 -1.0 2.0
   37    33    39    71   0.19700  1.0 3.0
   37    40   -41    46   7.00000 -1.0 2.0
   37    40    41    48   7.00000 -1.0 2.0
   37    40    42    43   0.15000  1.0 3.0
   37    40    42    44   0.15000  1.0 3.0
   37    40    42    45   0.15000  1.0 3.0
   38    37    40    41   1.00000 -1.0 2.0
   38    37    40    42  -0.64400  1.0 1.0
   38    37    40    42   0.26850 -1.0 2.0
   40    41    46    47   1.00000 -1.0 2.0
   40    41    46    51  -0.33500  1.0 1.0
   40    41    46    51   1.06600 -1.0 2.0
   40    41    46    51  -0.14000  1.0 3.0
   40    41    48    49   1.00000 -1.0 2.0
   40    41    48    50   1.00000 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46   -51    33   0.65300  1.0 1.0
   41    46   -51    33  -0.03850 -1.0 2.0
   41    46   -51    33   0.33900  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    53   0.65300  1.0 1.0
   41    46    51    53  -0.03850 -1.0 2.0
   41    46    51    53   0.33900  1.0 3.0
   46    41    48    49   1.00000 -1.0 2.0
   46    41    48    50   1.00000 -1.0 2.0
   46    51    53    54  -0.11250  1.0 3.0
   46    51    53    55  -0.95700  1.0 1.0
   46    51    53    55  -0.18200 -1.0 2.0
   46    51    53    55   0.29450  1.0 3.0
   46    51    53    56  -0.95700  1.0 1.0
   46    51    53    56  -0.18200 -1.0 2.0
   46    51    53    56   0.29450  1.0 3.0
   47    46    51    33   0.30150 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.30150 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    40   0.65300  1.0 1.0
   51    33   -37    40  -0.03850 -1.0 2.0
   51    33   -37    40   0.33900  1.0 3.0
   51    33   -39    55   1.99000  1.0 1.0
   51    33   -39    55   0.18800 -1.0 2.0
   51    33   -39    55   0.81350  1.0 3.0
   51    33    39    71   1.99000  1.0 1.0
   51    33    39    71   0.18800 -1.0 2.0
   51    33    39    71   0.81350  1.0 3.0
   51    53    55    59   0.47050  1.0 1.0
   51    53    55    59   0.03900 -1.0 2.0
   51    53    55    59   0.20100  1.0 3.0
   51    53   -55    39   1.53400  1.0 1.0
   51    53   -55    39  -0.09950 -1.0 2.0
   51    53   -55    39   0.05700  1.0 3.0
   51    53    55    61   0.62750  1.0 1.0
   51    53    55    61  -0.30950 -1.0 2.0
   51    53    55    61   0.27300  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53    56    62   0.62750  1.0 1.0
   51    53    56    62  -0.30950 -1.0 2.0
   51    53    56    62   0.27300  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   53    55    59    60   0.15000  1.0 3.0
   53    55    59    63   0.07850  1.0 1.0
   53    55    59    63  -0.03950 -1.0 2.0
   53    55    59    63   0.67350  1.0 3.0
   53    55    59    74   1.53400  1.0 1.0
   53    55    59    74  -0.09950 -1.0 2.0
   53    55    59    74   0.05700  1.0 3.0
   53    55   -39    33   1.99000  1.0 1.0
   53    55   -39    33   0.18800 -1.0 2.0
   53    55   -39    33   0.81350  1.0 3.0
   53    55    39    71   1.99000  1.0 1.0
   53    55    39    71   0.18800 -1.0 2.0
   53    55    39    71   0.81350  1.0 3.0
   53    55    61    65   0.06250  1.0 1.0
   53    55    61    65  -0.01100 -1.0 2.0
   53    55    61    65   0.28050  1.0 3.0
   53    56    62    69  -0.25900  1.0 1.0
   53    56    62    69  -0.47000 -1.0 2.0
   53    56    62    69   0.11750  1.0 3.0
   54    53    55    59   0.15000  1.0 3.0
   54    53    55    39   0.15000  1.0 3.0
   54    53    55    61   0.23400  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    62   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    62   0.62750  1.0 1.0
   55    53    56    62  -0.30950 -1.0 2.0
   55    53    56    62   0.27300  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59   -63    71   3.97050  1.0 1.0
   55    59   -63    74   1.53400  1.0 1.0
   55    59   -63    74  -0.09950 -1.0 2.0
   55    59   -63    74   0.05700  1.0 3.0
   55    59   -74    63  -0.35450  1.0 1.0
   55    59   -74    63   0.44050 -1.0 2.0
   55    59   -74    63   0.77100  1.0 3.0
   55    59    74    75   0.03200  1.0 1.0
   55    59    74    75   0.33800 -1.0 2.0
   55    61    65    66   0.37050  1.0 3.0
   55    61    65    67   0.37050  1.0 3.0
   55    61    65    68   0.37050  1.0 3.0
   59    55    39    33   1.99000  1.0 1.0
   59    55    39    33   0.18800 -1.0 2.0
   59    55    39    33   0.81350  1.0 3.0
   59    55   -39    71   1.99000  1.0 1.0
   59    55   -39    71   0.18800 -1.0 2.0
   59    55   -39    71   0.81350  1.0 3.0
   59    55    61    65   0.06250  1.0 1.0
   59    55    61    65  -0.01100 -1.0 2.0
   59    55    61    65   0.28050  1.0 3.0
   59    63    71    72   0.15000  1.0 3.0
   59    63    71    73   0.15000  1.0 3.0
   59    63   -71    39   1.53400  1.0 1.0
   59    63   -71    39  -0.09950 -1.0 2.0
   59    63   -71    39   0.05700  1.0 3.0
   59    63   -74    75   0.03200  1.0 1.0
   59    63   -74    75   0.33800 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    71   0.15000  1.0 3.0
   60    59   -63    74   0.15000  1.0 3.0
   60    59   -74    63   0.28000  1.0 3.0
   60    59    74    75   0.20000  1.0 3.0
   63    59   -74    75   0.03200  1.0 1.0
   63    59   -74    75   0.33800 -1.0 2.0
   63    71    39    33   1.99000  1.0 1.0
   63    71    39    33   0.18800 -1.0 2.0
   63    71    39    33   0.81350  1.0 3.0
   63    71   -39    55   1.99000  1.0 1.0
   63    71   -39    55   0.18800 -1.0 2.0
   63    71   -39    55   0.81350  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    39   0.15000  1.0 3.0
   64    63   -74    59   0.28000  1.0 3.0
   64    63    74    75   0.20000  1.0 3.0
   71    63   -74    59  -0.35450  1.0 1.0
   71    63   -74    59   0.44050 -1.0 2.0
   71    63   -74    59   0.77100  1.0 3.0
   71    63    74    75   0.03200  1.0 1.0
   71    63    74    75   0.33800 -1.0 2.0
   72    71    39    33   0.28000  1.0 3.0
   72    71    39    55   0.10550  1.0 3.0
   73    71    39    33   0.28000  1.0 3.0
   73    71    39    55   0.10550  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    51    46  -3.56550  1.0 1.0
   39    33    51    46  -0.67500 -1.0 2.0
   39    33    51    46   1.11300  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33   -51    53   1.53400  1.0 1.0
   39    33   -51    53  -0.09950 -1.0 2.0
   39    33   -51    53   0.05700  1.0 3.0
   39    55    59    60   0.15000  1.0 3.0
   39    55   -59    63   1.53400  1.0 1.0
   39    55   -59    63  -0.09950 -1.0 2.0
   39    55   -59    63   0.05700  1.0 3.0
   39    55    59    74   2.32150  1.0 1.0
   39    55    61    65  -1.02450  1.0 1.0
   39    55    61    65  -0.46500 -1.0 2.0
   39    55    61    65   0.47400  1.0 3.0
   74    59   -63    64   0.15000  1.0 3.0
   74    59   -63    71   1.53400  1.0 1.0
   74    59   -63    71  -0.09950 -1.0 2.0
   74    59   -63    71   0.05700  1.0 3.0
   74    63    71    72   0.15000  1.0 3.0
   74    63    71    73   0.15000  1.0 3.0
   74    63   -71    39   2.32150  1.0 1.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63  -0.26800  1.0 1.0
   61    55    59    63   0.69150 -1.0 2.0
   61    55    59    63  -0.48750  1.0 3.0
   61    55    59    74   2.01850  1.0 1.0
   61    55    59    74  -0.32950 -1.0 2.0
   61    55    59    74  -0.50350  1.0 3.0
   61    55    39    33   1.00600  1.0 1.0
   61    55    39    33  -1.41450 -1.0 2.0
   61    55    39    33   0.25150  1.0 3.0
   61    55    39    71   1.00600  1.0 1.0
   61    55    39    71  -1.41450 -1.0 2.0
   61    55    39    71   0.25150  1.0 3.0
   56    53    55    59   0.47050  1.0 1.0
   56    53    55    59   0.03900 -1.0 2.0
   56    53    55    59   0.20100  1.0 3.0
   56    53    55    39   1.53400  1.0 1.0
   56    53    55    39  -0.09950 -1.0 2.0
   56    53    55    39   0.05700  1.0 3.0
   56    53    55    61   0.62750  1.0 1.0
   56    53    55    61  -0.30950 -1.0 2.0
   56    53    55    61   0.27300  1.0 3.0
   56    62    69    70   3.00000 -1.0 2.0
   56    62    69    76  -0.80800  1.0 1.0
   56    62    69    76   2.06850 -1.0 2.0
   57    56    62    69   0.08050  1.0 3.0
   58    56    62    69   0.08050  1.0 3.0
   62    69    76    77   2.56700 -1.0 2.0
   62    69    76    78   2.56700 -1.0 2.0
   70    69    76    77   2.45000 -1.0 2.0
   70    69    76    78   2.45000 -1.0 2.0
   48    41    46    47  -0.52200  1.0 1.0
   48    41    46    47   0.82950 -1.0 2.0
   48    41    46    51   1.50000 -1.0 2.0
   42    40    41    46   7.00000 -1.0 2.0
   42    40    41    48   7.00000 -1.0 2.0
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    40    37    38  10.50000 -1.0 2.0
   37    42    40    41   1.10000 -1.0 2.0
   46    48    41    40   1.10000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   62    76    69    70  10.50000 -1.0 2.0
   78    69    76    77   1.00000 -1.0 2.0
   50    41    48    49   1.00000 -1.0 2.0
END
