* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    235     429
    1     0 S   NP   _N1_     1    28.91526    94.66648   -19.36476
    2     1 S   H    _HN1     2     1.02959    93.08704    21.17570
    3     1 S   H    _H1_     3     1.02834    39.94996   134.33643
    4     1 S   H    _H2_     4     1.02780    77.61224   -86.90270
    5     1 S   CT   _CA1     5     1.50133   148.61520   160.53395
    6     5 S   HC   _HA1     6     1.09571   105.23634    41.57796
    7     5 S   CO3  _C1_     7     1.53815   112.28399   -78.65342
    8     7 S   O2Z  _O11     8     1.26368   114.99496   -44.76773
    9     7 S   O2Z  _O12     9     1.26241   114.93359   134.25024
   10     5 S   CT   _CB1    10     1.53080   107.39937   159.51295
   11    10 S   HC   HB11    11     1.09822   109.44217   -49.82566
   12    10 S   HC   HB12    12     1.09824   110.37909    66.77199
   13    10 S   CT   _CG1    13     1.52984   112.64583  -170.89992
   14    13 S   HC   HG11    14     1.09568   110.31899   -61.89351
   15    13 S   HC   HG12    15     1.09635   110.09496    57.28861
   16    13 S   C    _CD1    16     1.51831   112.22887   177.65431
   17    16 S   O    _OE1    17     1.22724   123.25576    -5.32704
   18    16 S   N    _N2_    18     1.38538   111.64780   174.69046
   19    18 S   H    _HN2    19     1.01656   119.01653     0.11191
   20    18 S   CT1  _CA2    20     1.46190   123.60318  -176.58711
   21    20 S   HC   _HA2    21     1.09725   109.34358    -7.58256
   22    20 S   C    _C2_    22     1.53385   108.80681  -123.50798
   23    22 S   O    _O2_    23     1.23033   122.10211  -147.90512
   24    20 S   CT   _CB2    32     1.53555   111.15550   114.17780
   25    24 S   HC   HB21    33     1.09227   109.57742    60.53623
   26    24 S   HC   HB22    34     1.09544   110.32967   178.07746
   27    22 S   N    _N3_    24     1.38468   113.49656    39.59744
   28    27 S   H    _HN3    25     1.01521   118.85938    -1.26517
   29    24 S   S    _SG2    35     1.83083   111.19843   -63.36355
   30    27 S   CT   _CA3    26     1.45460   123.66205   175.22004
   31    30 S   HC   HA31    27     1.09509   109.50548    18.74965
   32    30 S   HC   HA32    28     1.09506   107.05271   135.76771
   33    29 S   CT   _C21    36     1.89784   102.57785   133.91692
   34    30 S   CO3  _C3_    29     1.52908   112.94218  -104.92857
   35    34 S   O2Z  _O31    30     1.26424   115.34275   -46.56284
   36    34 S   O2Z  _O32    31     1.26351   115.03457   134.35196
   37    33 S   CA   _C12    37     1.54409   111.00787    51.66749
   38    33 S   CO4  _C16    74     1.54826   103.15002   -75.67814
   39    38 S   O    _O21    75     1.23123   123.68531    61.68726
   40    37 S   CA   _C11    38     1.42209   117.62264    71.92085
   41    40 S   CA   _C7_    39     1.41093   120.72977  -176.74923
   42    41 S   HA   _H32    40     1.08896   119.30873   177.92020
   43    40 S   CT   _C18    52     1.51496   122.47720     3.95052
   44    43 S   HC   _H34    53     1.09817   108.00403   144.34263
   45    41 S   CA   _C13    41     1.39305   121.40004    -2.74267
   46    43 S   CT   _C20    54     1.54026   115.60377    22.21527
   47    46 S   HC   _H36    55     1.09670   110.01577  -128.21988
   48    43 S   OH   _O24    78     1.42855   107.71535  -101.23260
   49    48 S   HO   _H43    79     0.97249   107.40687  -174.08484
   50    45 S   CA   _C8_    42     1.39272   118.32853    -0.09279
   51    50 S   HA   _H33    43     1.08812   119.09092  -178.97818
   52    45 S   CT   _C23    47     1.49989   120.98626   179.41987
   53    52 S   HC   _H40    48     1.09526   111.19857    20.06274
   54    52 S   HC   _H41    49     1.09545   110.53240   139.90678
   55    33 S   CT   _C19    56     1.55133   108.89662   166.22138
   56    55 S   HC   _H35    57     1.10393   109.06329  -172.99868
   57    46 S   OH   _O25    76     1.43645   107.54012   117.17777
   58    57 S   HO   _H44    77     0.97382   107.23069   172.07486
   59    37 S   CA   _C15    44     1.40771   125.84199  -109.74031
   60    52 S   OH   _O26    50     1.41931   109.06161  -100.03382
   61    60 S   HO   _H45    51     0.97219   107.05254   179.82529
   62    55 S   CO4  _C17    58     1.51959   111.58752    72.82251
   63    62 S   O    _O22    59     1.22419   123.95057  -124.80662
   64    59 S   OH   _O23    45     1.36627   121.17469    -4.05690
   65    64 S   HO   _H42    46     0.97177   109.81273   177.89932
   66    62 S   CA   _C10    60     1.47431   114.52064    57.70671
   67    66 S   CA   _C9_    61     1.39646   117.21333   -34.28146
   68    67 S   CA   _C5_    62     1.39804   119.63223   179.37349
   69    68 S   HA   _H30    63     1.08709   121.29434   178.95620
   70    68 S   CA   _C4_    64     1.39232   119.93746    -0.37639
   71    70 S   HA   _H29    65     1.08682   119.81995   179.55943
   72    70 S   CA   _C6_    66     1.39596   120.35345     0.41871
   73    72 S   HA   _H31    67     1.08564   117.48461   179.90309
   74    66 S   CA   _C14    68     1.40705   121.89742   144.96245
   75    74 S   OS   _O27    69     1.37017   117.15780    -0.69633
   76    75 S   CT   _C22    70     1.42228   117.48358   174.55972
   77    76 S   HC   _H37    71     1.09429   107.72125  -176.19605
   78    76 S   HC   _H38    72     1.09481   111.02448    66.18953
   79    76 S   HC   _H39    73     1.09510   111.27705   -58.41340
  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
  19   2   1   1  19  13   4  15  13   4  12   6   9  10   6   3
   1   8   3   5   3   2   9   4   2   1   2   1   1   7   3   1
   1   9   7   6   3   5   3   4   2   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    59    46    55    56    62    67    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    50    59    64    43    46    47    55    56    62    63    66    67    68    38    39    57  
   35    36  
   36  
    0  
   40    41    42    45    50    51    59    64    65    43    44    46    55    56    62    67    38    39    48  
   39    40    46    55    56    59    62    66    67    68    69    70    74  
   55    66    67    68  
   41    42    45    50    59    64    52    43    44    46    47    55    57    48    49  
   42    45    50    51    59    52    53    54    60    43    44    46    48  
   45    50    52    43  
   44    46    47    55    56    62    57    58    48    49    45    59  
   46    47    55    57    48    49  
   50    51    59    64    52    53    54    60    61  
   47    55    56    62    63    66    57    58    48    49  
   55    56    62    57    58    48  
   49    55    57  
    0  
   51    59    64    65    52    53    54    60  
   59    64    52  
   53    54    60    61    59  
   54    60    61  
   60    61  
   56    62    63    66    67    74    57    58    59  
   62    63    66    57  
   58    62  
    0  
   64    65  
   61  
    0  
   63    66    67    68    72    74    75  
   66    67    74  
   65  
    0  
   67    68    69    70    72    73    74    75    76  
   68    69    70    71    72    74    75  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75    76  
   74    75  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    59   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   317.000  1.510
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    64   450.000  1.364
   64    65   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   320.000  1.410
   60    61   553.000  0.945
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    55   268.000  1.529
   46    57   320.000  1.410
   55    56   340.000  1.090
   55    62   317.000  1.522
   62    63   570.000  1.229
   62    66   310.000  1.470
   66    67   469.000  1.400
   66    74   469.000  1.400
   67    68   469.000  1.400
   67    38   310.000  1.470
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   450.000  1.364
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   38    39   570.000  1.229
   57    58   553.000  0.945
   48    49   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    80.00000  109.48900
   29    33    55    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    59    70.00000  120.00000
   33    55    46    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    63.00000  111.10000
   33    38    67    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    59    50    63.00000  120.00000
   37    59    64    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   41    45    50    63.00000  120.00000
   41    45    52    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    59    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    60    90.00000  112.51600
   50    59    64    70.00000  120.00000
   59    37    40    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    64    65    35.00000  113.00000
   52    45    50    70.00000  120.00000
   52    60    61    55.00000  108.50000
   54    52    53    33.00000  107.80000
   60    52    53    35.00000  109.50000
   60    52    54    35.00000  109.50000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    46    57    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    62    63.00000  111.10000
   46    57    58    55.00000  108.50000
   55    33    37    70.00000  112.17500
   55    46    47    37.50000  110.70000
   55    62    63    80.00000  120.40000
   55    62    66    65.00000  115.47100
   62    55    56    35.00000  109.50000
   62    66    67    60.00000  119.52600
   62    66    74    60.00000  119.52600
   66    62    63    75.00000  123.78400
   66    67    68    63.00000  120.00000
   66    67    38    60.00000  119.52600
   66    74    72    63.00000  120.00000
   66    74    75    70.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    38    39    75.00000  123.78400
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    70.00000  120.00000
   74    66    67    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    75.00000  111.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   38    33    37    70.00000  110.93000
   38    33    55    63.00000  111.10000
   38    67    68    60.00000  119.52600
   57    46    47    35.00000  109.50000
   57    46    55    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    59  -0.16000  1.0 1.0
   29    33    37    59  -0.03200 -1.0 2.0
   29    33    37    59   0.04500  1.0 3.0
   29    33    55    46   0.44750  1.0 1.0
   29    33    55    46  -0.17800 -1.0 2.0
   29    33    55    46   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    62   0.56750  1.0 1.0
   29    33    55    62  -0.07550 -1.0 2.0
   29    33    55    62   0.20000  1.0 3.0
   29    33    38    67   0.65300  1.0 1.0
   29    33    38    67  -0.03850 -1.0 2.0
   29    33    38    67   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    59    50   3.62500 -1.0 2.0
   33    37    59    64   3.62500 -1.0 2.0
   33    55    62    63   0.30150 -1.0 2.0
   33    55    62    66   0.05850 -1.0 2.0
   33    55    62    66   0.17250  1.0 3.0
   37    33    55    46  -0.03700  1.0 1.0
   37    33    55    46   0.37200 -1.0 2.0
   37    33    55    46  -0.47300  1.0 3.0
   37    33    55    56   0.43200  1.0 3.0
   37    33    55    62   0.56750  1.0 1.0
   37    33    55    62  -0.07550 -1.0 2.0
   37    33    55    62   0.20000  1.0 3.0
   37    33    38    67   0.65300  1.0 1.0
   37    33    38    67  -0.03850 -1.0 2.0
   37    33    38    67   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48   0.14300 -1.0 2.0
   37    40    43    48   0.00300  1.0 3.0
   37    59    64    65   0.84100 -1.0 2.0
   40    37    59    50   3.62500 -1.0 2.0
   40    37    59    64   3.62500 -1.0 2.0
   40    41   -45    50   3.62500 -1.0 2.0
   40    41    45    52   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    55  -0.03700  1.0 1.0
   40    43    46    55   0.37200 -1.0 2.0
   40    43    46    55  -0.47300  1.0 3.0
   40    43    46    57   1.13150  1.0 1.0
   40    43    46    57  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48   0.14300 -1.0 2.0
   41    40    43    48   0.00300  1.0 3.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    59   3.62500 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    54   0.00000  1.0 1.0
   41    45    52    60   0.14300 -1.0 2.0
   41    45    52    60   0.00300  1.0 3.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50   -59    37   3.62500 -1.0 2.0
   45    50    59    64   3.62500 -1.0 2.0
   45    52    60    61   0.31900  1.0 1.0
   45    52    60    61  -0.11800 -1.0 2.0
   45    52    60    61   0.38750  1.0 3.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    54   0.00000  1.0 1.0
   50    45    52    60   0.14300 -1.0 2.0
   50    45    52    60   0.00300  1.0 3.0
   50    59    64    65   0.84100 -1.0 2.0
   51    50    59    37   3.62500 -1.0 2.0
   51    50    59    64   3.62500 -1.0 2.0
   59    37   -40    41   3.62500 -1.0 2.0
   59    37    40    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    59   3.62500 -1.0 2.0
   53    52    60    61   0.19450  1.0 3.0
   54    52    60    61   0.19450  1.0 3.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -55    33   0.56750  1.0 1.0
   43    46   -55    33  -0.07550 -1.0 2.0
   43    46   -55    33   0.20000  1.0 3.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    62  -0.95700  1.0 1.0
   43    46    55    62  -0.18200 -1.0 2.0
   43    46    55    62   0.29450  1.0 3.0
   43    46    57    58  -0.11600  1.0 1.0
   43    46    57    58  -0.09450 -1.0 2.0
   43    46    57    58   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    55   0.15000  1.0 3.0
   44    43    46    57   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    55    62    63   0.30150 -1.0 2.0
   46    55    62    66   0.05850 -1.0 2.0
   46    55    62    66   0.17250  1.0 3.0
   47    46    55    33   0.15000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    62  -0.11250  1.0 3.0
   47    46    57    58   0.19450  1.0 3.0
   55    33   -37    40   0.04150 -1.0 2.0
   55    33    37    59   0.04150 -1.0 2.0
   55    33    38    67   0.05850 -1.0 2.0
   55    33    38    67   0.17250  1.0 3.0
   55    33    38    39   0.30150 -1.0 2.0
   55    46    57    58  -0.11600  1.0 1.0
   55    46    57    58  -0.09450 -1.0 2.0
   55    46    57    58   0.21250  1.0 3.0
   55    62   -66    67   2.26350  1.0 1.0
   55    62   -66    67   0.76750 -1.0 2.0
   55    62   -66    67   0.22500  1.0 3.0
   55    62    66    74   2.26350  1.0 1.0
   55    62    66    74   0.76750 -1.0 2.0
   55    62    66    74   0.22500  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    66   0.00000  1.0 1.0
   62    66    67    68   3.62500 -1.0 2.0
   62    66    67    38   3.62500 -1.0 2.0
   62    66    74    72   3.62500 -1.0 2.0
   62    66    74    75   3.62500 -1.0 2.0
   63    62    66    67   1.05000 -1.0 2.0
   63    62    66    74   1.05000 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    68    70   3.62500 -1.0 2.0
   66    67   -38    33   2.26350  1.0 1.0
   66    67   -38    33   0.76750 -1.0 2.0
   66    67   -38    33   0.22500  1.0 3.0
   66    67    38    39   1.05000 -1.0 2.0
   66    74    75    76   1.63200 -1.0 2.0
   67    66    74    72   3.62500 -1.0 2.0
   67    66    74    75   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68   -70    72   3.62500 -1.0 2.0
   68    67    38    33   2.26350  1.0 1.0
   68    67    38    33   0.76750 -1.0 2.0
   68    67    38    33   0.22500  1.0 3.0
   68    67    38    39   1.05000 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    66   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   1.63200 -1.0 2.0
   73    72    74    66   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    66   -67    68   3.62500 -1.0 2.0
   74    66    67    38   3.62500 -1.0 2.0
   74    75    76    77   0.08050  1.0 3.0
   74    75    76    78   0.08050  1.0 3.0
   74    75    76    79   0.08050  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    59   0.04300 -1.0 2.0
   38    33    55    46  -0.95700  1.0 1.0
   38    33    55    46  -0.18200 -1.0 2.0
   38    33    55    46   0.29450  1.0 3.0
   38    33    55    56  -0.11250  1.0 3.0
   38    33   -55    62   0.11950  1.0 1.0
   38    33   -55    62   0.20300 -1.0 2.0
   38    33   -55    62  -0.70800  1.0 3.0
   38    67    68    69   3.62500 -1.0 2.0
   38    67    68    70   3.62500 -1.0 2.0
   57    46    55    33   0.86500  1.0 1.0
   57    46    55    33  -0.17500 -1.0 2.0
   57    46    55    33   0.20800  1.0 3.0
   57    46    55    56   0.23400  1.0 3.0
   57    46    55    62  -0.09450  1.0 1.0
   57    46    55    62  -1.12950 -1.0 2.0
   57    46    55    62   0.54000  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    55   0.86500  1.0 1.0
   48    43    46    55  -0.17500 -1.0 2.0
   48    43    46    55   0.20800  1.0 3.0
   48    43    46    57   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
   40    59    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   59    51    50    45   1.10000 -1.0 2.0
   50    64    59    37   4.00000 -1.0 2.0
   55    66    62    63  10.50000 -1.0 2.0
   67    74    66    62   4.00000 -1.0 2.0
   68    38    67    66   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    66   4.00000 -1.0 2.0
   33    67    38    39  10.50000 -1.0 2.0
END
