* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    235     429
    1     0 S   NP   _N1_     1    30.77239    90.45907   -17.90602
    2     1 S   H    _HN1     2     1.02756   118.65543   -26.29540
    3     1 S   H    _H1_     3     1.03034   118.49687   107.98841
    4     1 S   H    _H2_     4     1.02830    24.47875    42.79282
    5     1 S   CT   _CA1     5     1.50038    86.63362  -140.20432
    6     5 S   HC   _HA1     6     1.09560   105.21956    58.01222
    7     5 S   CO3  _C1_     7     1.53789   112.68723   -62.34407
    8     7 S   O2Z  _O11     8     1.26358   115.17396   -39.64103
    9     7 S   O2Z  _O12     9     1.26265   114.89791   139.58975
   10     5 S   CT   _CB1    10     1.52917   107.29196   175.99816
   11    10 S   HC   HB11    11     1.09857   109.51494   -48.81736
   12    10 S   HC   HB12    12     1.09671   110.04203    67.24146
   13    10 S   CT   _CG1    13     1.53108   113.15403  -170.05379
   14    13 S   HC   HG11    14     1.09539   111.29703   -65.52897
   15    13 S   HC   HG12    15     1.09582   110.82300    54.02625
   16    13 S   C    _CD1    16     1.51423   109.58613   173.37102
   17    16 S   O    _OE1    17     1.22814   121.74401   -95.19063
   18    16 S   N    _N2_    18     1.38369   112.81777    82.30753
   19    18 S   H    _HN2    19     1.01572   119.03250     6.49694
   20    18 S   CT1  _CA2    20     1.46325   123.42815  -171.32162
   21    20 S   HC   _HA2    21     1.09734   109.30684     3.61108
   22    20 S   C    _C2_    22     1.53275   108.91172  -112.68696
   23    22 S   O    _O2_    23     1.23038   122.14376  -141.65795
   24    20 S   CT   _CB2    32     1.53793   110.96583   124.84091
   25    24 S   HC   HB21    33     1.09241   108.77529    63.25478
   26    24 S   HC   HB22    34     1.09458   110.18784  -178.16517
   27    22 S   N    _N3_    24     1.38464   113.55825    45.37661
   28    27 S   H    _HN3    25     1.01497   119.10265     0.30261
   29    24 S   S    _SG2    35     1.82915   110.61542   -57.73994
   30    27 S   CT   _CA3    26     1.45440   123.18580   175.75628
   31    30 S   HC   HA31    27     1.09543   108.93040    29.68698
   32    30 S   HC   HA32    28     1.09490   107.16946   146.61137
   33    29 S   CT   _C21    36     1.88112   102.76918   170.54221
   34    30 S   CO3  _C3_    29     1.52946   113.44459   -93.60357
   35    34 S   O2Z  _O31    30     1.26375   115.55969   -41.63300
   36    34 S   O2Z  _O32    31     1.26384   114.88688   139.38259
   37    33 S   CO4  _C17    37     1.53851   105.99035    65.58893
   38    37 S   O    _O22    38     1.22851   120.92539  -100.72628
   39    33 S   CT   _C20    74     1.54829   112.55400   -55.96352
   40    39 S   HC   _H36    75     1.09442   111.80105    61.45951
   41    37 S   CA   _C10    39     1.50431   118.19773    78.42773
   42    39 S   OH   _O25    76     1.43799   109.73900   178.13722
   43    42 S   HO   _H44    77     0.97378   107.32665   -69.23206
   44    41 S   CA   _C9_    40     1.40616   119.07637     7.75454
   45    44 S   CA   _C5_    41     1.39700   120.98390  -177.87947
   46    45 S   HA   _H30    42     1.08691   121.21830   179.80719
   47    44 S   CO4  _C16    53     1.48082   120.55728     1.65280
   48    47 S   O    _O21    54     1.22519   119.47160  -153.55300
   49    45 S   CA   _C4_    43     1.38938   119.59013    -0.80746
   50    49 S   HA   _H29    44     1.08668   119.94236  -179.66428
   51    33 S   CT   _C18    55     1.55587   110.92001  -177.64682
   52    51 S   HC   _H34    56     1.10190   109.15488  -166.73844
   53    49 S   CA   _C6_    45     1.39561   120.18434     0.32626
   54    53 S   HA   _H31    46     1.08599   117.22996   179.90309
   55    51 S   CA   _C12    57     1.52778   114.27053    76.74917
   56    41 S   CA   _C14    47     1.41149   121.69724  -170.78260
   57    55 S   CA   _C11    58     1.41190   120.65465    15.74909
   58    56 S   OS   _O27    48     1.37068   117.54582    -1.01991
   59    57 S   CA   _C7_    59     1.41044   119.99771  -177.86999
   60    59 S   HA   _H32    60     1.08945   119.14390   178.01929
   61    57 S   CT   _C19    72     1.51487   122.65631     5.91331
   62    61 S   HC   _H35    73     1.09865   107.12265   126.35362
   63    58 S   CT   _C22    49     1.42196   118.10953   179.73386
   64    63 S   HC   _H37    50     1.09430   107.71288   179.92338
   65    63 S   HC   _H38    51     1.09489   111.15207    62.25200
   66    63 S   HC   _H39    52     1.09489   111.14786   -62.41231
   67    59 S   CA   _C13    61     1.39668   121.51785    -3.46023
   68    61 S   OH   _O24    78     1.42399   109.07388  -118.00750
   69    68 S   HO   _H43    79     0.97233   107.32669  -167.46707
   70    67 S   CA   _C8_    62     1.39440   118.55700    -1.28922
   71    70 S   HA   _H33    63     1.08740   119.53914  -177.29116
   72    67 S   CT   _C23    67     1.50018   120.77966   179.42359
   73    72 S   HC   _H40    68     1.09520   111.26751    17.75512
   74    72 S   HC   _H41    69     1.09543   110.48307   137.67858
   75    55 S   CA   _C15    64     1.40787   121.85595  -170.05428
   76    72 S   OH   _O26    70     1.42042   109.10369  -102.25796
   77    76 S   HO   _H45    71     0.97279   106.68379  -179.29390
   78    75 S   OH   _O23    65     1.37136   119.53005    -4.59389
   79    78 S   HO   _H42    66     0.97193   109.13899   178.44594
  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
  19   2   1   1  15   5  14   7  12   6   1  12   9   4   8   3
   5   3   8   3   4   2  12   5  11   4  12   4   5   2   3   2
   1   1   9   1   1   8   3   5   3   2   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    51    52    55    61    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    56    47    48    51    52    55    57    75    61    62    39    40    42    43    68  
   35    36  
   36  
    0  
   38    41    44    45    53    56    58    47    51    52    55    61    39    40    42  
   41    44    56    51    39  
   40    42    43    68    69    41    47    51    52    55    57    59    61    62  
   42    43    68    51    57    61    62  
   44    45    46    49    53    54    56    58    63    47    48    51  
   43    68    51    57    61    62  
   61  
   45    46    49    50    53    56    58    47    48    51    52    55  
   46    49    50    53    54    56    47    48    51  
   49    50    53    47  
   48    51    52    55    57    75    49    56  
   51    52    55  
   50    53    54    56    58  
   53    54    56  
   52    55    57    59    70    75    78    61  
   55    57    75  
   54    56    58    63  
   56    58  
   57    59    60    67    70    71    75    78    79    61    62    68  
   58    63    64    65    66  
   59    60    67    70    75    78    72    61    62    68    69  
   63    64    65    66  
   60    67    70    71    75    72    73    74    76    61    62    68  
   67    70    72    61  
   62    68    69    67    75  
   68    69  
   64    65    66  
   65    66  
   66  
    0  
   70    71    75    78    72    73    74    76    77  
   69  
    0  
   71    75    78    79    72    73    74    76  
   75    78    72  
   73    74    76    77    75  
   74    76    77  
   76    77  
   78    79  
   77  
    0  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    56   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    58   450.000  1.364
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    55   317.000  1.510
   55    57   469.000  1.400
   55    75   469.000  1.400
   57    59   469.000  1.400
   57    61   317.000  1.510
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    70   469.000  1.400
   67    72   317.000  1.510
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    78   450.000  1.364
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   320.000  1.410
   76    77   553.000  0.945
   61    62   340.000  1.090
   61    39   268.000  1.529
   61    68   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   68    69   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    55    70.00000  112.17500
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    56    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  119.52600
   41    56    53    63.00000  120.00000
   41    56    58    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    51    65.00000  115.47100
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    58    70.00000  120.00000
   56    41    44    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    58    63    75.00000  111.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   47    44    45    60.00000  119.52600
   47    51    52    35.00000  109.50000
   47    51    55    70.00000  110.93000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   51    55    57    70.00000  120.00000
   51    55    75    70.00000  120.00000
   55    51    52    35.00000  109.50000
   55    57    59    63.00000  120.00000
   55    57    61    70.00000  120.00000
   55    75    70    63.00000  120.00000
   55    75    78    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    67    63.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    39    70.00000  112.17500
   57    61    68    90.00000  112.51600
   59    67    70    63.00000  120.00000
   59    67    72    70.00000  120.00000
   67    59    60    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    75    63.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    76    90.00000  112.51600
   70    75    78    70.00000  120.00000
   75    55    57    63.00000  120.00000
   75    70    71    35.00000  120.00000
   75    78    79    35.00000  113.00000
   72    67    70    70.00000  120.00000
   72    76    77    55.00000  108.50000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   61    57    59    70.00000  120.00000
   61    39    40    37.50000  110.70000
   61    39    42    50.00000  109.50000
   61    68    69    55.00000  108.50000
   39    33    37    63.00000  111.10000
   39    33    51    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   68    61    62    35.00000  109.50000
   68    61    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    44   2.26350  1.0 1.0
   33    37    41    44   0.76750 -1.0 2.0
   33    37    41    44   0.22500  1.0 3.0
   33    37    41    56   2.26350  1.0 1.0
   33    37    41    56   0.76750 -1.0 2.0
   33    37    41    56   0.22500  1.0 3.0
   33    51    55    57   0.04150 -1.0 2.0
   33    51    55    75   0.04150 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   37    33    51    47   0.11950  1.0 1.0
   37    33    51    47   0.20300 -1.0 2.0
   37    33    51    47  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    55   0.56750  1.0 1.0
   37    33    51    55  -0.07550 -1.0 2.0
   37    33    51    55   0.20000  1.0 3.0
   37    33    39    61  -0.95700  1.0 1.0
   37    33    39    61  -0.18200 -1.0 2.0
   37    33    39    61   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    41    44    45   3.62500 -1.0 2.0
   37    41   -44    47   3.62500 -1.0 2.0
   37    41    56    53   3.62500 -1.0 2.0
   37    41    56    58   3.62500 -1.0 2.0
   38    37    41    44   1.05000 -1.0 2.0
   38    37    41    56   1.05000 -1.0 2.0
   41    44    45    46   3.62500 -1.0 2.0
   41    44    45    49   3.62500 -1.0 2.0
   41    44    47    48   1.05000 -1.0 2.0
   41    44    47    51   2.26350  1.0 1.0
   41    44    47    51   0.76750 -1.0 2.0
   41    44    47    51   0.22500  1.0 3.0
   41    56    58    63   1.63200 -1.0 2.0
   44    41    56    53   3.62500 -1.0 2.0
   44    41    56    58   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    45   -49    53   3.62500 -1.0 2.0
   44    47   -51    33   0.05850 -1.0 2.0
   44    47   -51    33   0.17250  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.65300  1.0 1.0
   44    47    51    55  -0.03850 -1.0 2.0
   44    47    51    55   0.33900  1.0 3.0
   45    44    47    48   1.05000 -1.0 2.0
   45    44    47    51   2.26350  1.0 1.0
   45    44    47    51   0.76750 -1.0 2.0
   45    44    47    51   0.22500  1.0 3.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53   -56    41   3.62500 -1.0 2.0
   49    53    56    58   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56    58    63   1.63200 -1.0 2.0
   54    53    56    41   3.62500 -1.0 2.0
   54    53    56    58   3.62500 -1.0 2.0
   56    41   -44    45   3.62500 -1.0 2.0
   56    41    44    47   3.62500 -1.0 2.0
   56    58    63    64   0.08050  1.0 3.0
   56    58    63    65   0.08050  1.0 3.0
   56    58    63    66   0.08050  1.0 3.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    55    57   0.04300 -1.0 2.0
   47    51    55    75   0.04300 -1.0 2.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.30150 -1.0 2.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    41   0.05850 -1.0 2.0
   51    33   -37    41   0.17250  1.0 3.0
   51    33    39    61   0.56750  1.0 1.0
   51    33    39    61  -0.07550 -1.0 2.0
   51    33    39    61   0.20000  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    42   0.86500  1.0 1.0
   51    33    39    42  -0.17500 -1.0 2.0
   51    33    39    42   0.20800  1.0 3.0
   51    55    57    59   3.62500 -1.0 2.0
   51    55   -57    61   3.62500 -1.0 2.0
   51    55    75    70   3.62500 -1.0 2.0
   51    55    75    78   3.62500 -1.0 2.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    75   0.00000  1.0 1.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    67   3.62500 -1.0 2.0
   55    57    61    62   0.00000  1.0 1.0
   55    57    61    39   0.04150 -1.0 2.0
   55    57    61    68   0.14300 -1.0 2.0
   55    57    61    68   0.00300  1.0 3.0
   55    75    78    79   0.84100 -1.0 2.0
   57    55    75    70   3.62500 -1.0 2.0
   57    55    75    78   3.62500 -1.0 2.0
   57    59   -67    70   3.62500 -1.0 2.0
   57    59    67    72   3.62500 -1.0 2.0
   57    61   -39    33  -0.03700  1.0 1.0
   57    61   -39    33   0.37200 -1.0 2.0
   57    61   -39    33  -0.47300  1.0 3.0
   57    61    39    40   0.43200  1.0 3.0
   57    61    39    42   1.13150  1.0 1.0
   57    61    39    42  -1.01400 -1.0 2.0
   57    61    68    69   0.31900  1.0 1.0
   57    61    68    69  -0.11800 -1.0 2.0
   57    61    68    69   0.38750  1.0 3.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    39   0.04150 -1.0 2.0
   59    57    61    68   0.14300 -1.0 2.0
   59    57    61    68   0.00300  1.0 3.0
   59    67    70    71   3.62500 -1.0 2.0
   59    67    70    75   3.62500 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    74   0.00000  1.0 1.0
   59    67    72    76   0.14300 -1.0 2.0
   59    67    72    76   0.00300  1.0 3.0
   60    59    67    70   3.62500 -1.0 2.0
   60    59    67    72   3.62500 -1.0 2.0
   67    70   -75    55   3.62500 -1.0 2.0
   67    70    75    78   3.62500 -1.0 2.0
   67    72    76    77   0.31900  1.0 1.0
   67    72    76    77  -0.11800 -1.0 2.0
   67    72    76    77   0.38750  1.0 3.0
   70    67    72    73   0.00000  1.0 1.0
   70    67    72    74   0.00000  1.0 1.0
   70    67    72    76   0.14300 -1.0 2.0
   70    67    72    76   0.00300  1.0 3.0
   70    75    78    79   0.84100 -1.0 2.0
   71    70    75    55   3.62500 -1.0 2.0
   71    70    75    78   3.62500 -1.0 2.0
   75    55   -57    59   3.62500 -1.0 2.0
   75    55    57    61   3.62500 -1.0 2.0
   72    67    70    71   3.62500 -1.0 2.0
   72    67    70    75   3.62500 -1.0 2.0
   73    72    76    77   0.19450  1.0 3.0
   74    72    76    77   0.19450  1.0 3.0
   61    57    59    60   3.62500 -1.0 2.0
   61    57    59    67   3.62500 -1.0 2.0
   61    39    42    43  -0.11600  1.0 1.0
   61    39    42    43  -0.09450 -1.0 2.0
   61    39    42    43   0.21250  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    42   0.23400  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    51    47  -0.95700  1.0 1.0
   39    33    51    47  -0.18200 -1.0 2.0
   39    33    51    47   0.29450  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33   -51    55  -0.03700  1.0 1.0
   39    33   -51    55   0.37200 -1.0 2.0
   39    33   -51    55  -0.47300  1.0 3.0
   39    61    68    69  -0.11600  1.0 1.0
   39    61    68    69  -0.09450 -1.0 2.0
   39    61    68    69   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   68    61    39    33   0.86500  1.0 1.0
   68    61    39    33  -0.17500 -1.0 2.0
   68    61    39    33   0.20800  1.0 3.0
   68    61    39    40   0.23400  1.0 3.0
   68    61    39    42   3.75450  1.0 1.0
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    41    37    38  10.50000 -1.0 2.0
   44    56    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   53    58    56    41   4.00000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   57    75    55    51   4.00000 -1.0 2.0
   59    61    57    55   4.00000 -1.0 2.0
   67    60    59    57   1.10000 -1.0 2.0
   70    72    67    59   4.00000 -1.0 2.0
   75    71    70    67   1.10000 -1.0 2.0
   70    78    75    55   4.00000 -1.0 2.0
END
