* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    237     443
    1     0 S   NP   _N1_     1    28.43073    95.90836   -21.77331
    2     1 S   H    _HN1     2     1.02959    80.11467    31.70925
    3     1 S   H    _H1_     3     1.02836    37.87421   166.83584
    4     1 S   H    _H2_     4     1.02778    92.31724   -76.49056
    5     1 S   CT   _CA1     5     1.50108   147.04649   144.13963
    6     5 S   HC   _HA1     6     1.09574   105.24389    73.82083
    7     5 S   CO3  _C1_     7     1.53788   112.40320   -46.42280
    8     7 S   O2Z  _O11     8     1.26358   115.00670   -43.91577
    9     7 S   O2Z  _O12     9     1.26239   114.92363   135.32852
   10     5 S   CT   _CB1    10     1.53101   107.43822  -168.24986
   11    10 S   HC   HB11    11     1.09824   109.35193   -50.82742
   12    10 S   HC   HB12    12     1.09819   110.40852    65.72798
   13    10 S   CT   _CG1    13     1.53007   112.66256  -171.92917
   14    13 S   HC   HG11    14     1.09597   110.44473   -63.52662
   15    13 S   HC   HG12    15     1.09652   109.98385    55.69469
   16    13 S   C    _CD1    16     1.51810   112.33593   176.07225
   17    16 S   O    _OE1    17     1.22716   123.26982    -2.09938
   18    16 S   N    _N2_    18     1.38634   111.61257   178.06913
   19    18 S   H    _HN2    19     1.01582   119.01785     1.40249
   20    18 S   CT1  _CA2    20     1.46161   123.38212  -179.86583
   21    20 S   HC   _HA2    21     1.09745   109.40369    -7.38767
   22    20 S   C    _C2_    22     1.53441   108.56553  -122.96935
   23    22 S   O    _O2_    23     1.23030   122.17477  -146.27616
   24    20 S   CT   _CB2    32     1.53334   111.47507   114.61252
   25    24 S   HC   HB21    33     1.09535   110.17809    55.14256
   26    24 S   HC   HB22    34     1.09509   110.10143   174.15132
   27    22 S   N    _N3_    24     1.38485   113.46613    41.17199
   28    27 S   H    _HN3    25     1.01512   118.95447    -0.66617
   29    24 S   S    _SG2    35     1.82706   111.69508   -66.28948
   30    27 S   CT   _CA3    26     1.45449   123.45016   174.93806
   31    30 S   HC   HA31    27     1.09520   109.28479    24.10444
   32    30 S   HC   HA32    28     1.09497   107.13285   141.12060
   33    29 S   CT   _C20    36     1.86396    99.24970   179.48795
   34    33 S   HC   _H5_    37     1.09674   107.91060    27.98523
   35    30 S   CO3  _C3_    29     1.52915   112.98687   -99.38709
   36    35 S   O2Z  _O31    30     1.26409   115.33825   -46.33310
   37    35 S   O2Z  _O32    31     1.26344   115.02523   134.54464
   38    33 S   CT   _C19    38     1.54770   106.18487   -88.38389
   39    38 S   HC   _H4_    39     1.09650   110.37652    46.16112
   40    38 S   CT   _C18    40     1.53180   113.41747   -76.05069
   41    40 S   HC   _H22    41     1.09669   109.84221  -172.81610
   42    40 S   HC   _H23    42     1.09606   110.25411    69.70456
   43    38 S   OH   _O35    77     1.42755   109.41539   161.14074
   44    43 S   HO   _H24    78     0.97260   107.68892  -178.34898
   45    40 S   CT   _C17    43     1.52344   112.02444   -52.19757
   46    45 S   HC   _H20    44     1.09732   109.35466   176.17823
   47    45 S   HC   _H21    45     1.09648   108.58040   -68.81815
   48    45 S   CT   _C16    46     1.53861   111.57804    55.06994
   49    48 S   HC   _H3_    47     1.09943   107.16651    70.19843
   50    33 S   CT   _C12    48     1.56617   111.39739   146.21148
   51    48 S   NT   _N4_    60     1.48222   110.32238  -168.97954
   52    50 S   CA   _C8_    49     1.55164   115.26887   -49.52255
   53    51 S   CT   _C14    61     1.48480   105.05352    80.45033
   54    53 S   HC   _H16    62     1.09631   109.21044   -97.22840
   55    53 S   HC   _H17    63     1.09647   112.85015   144.77168
   56    52 S   CA   _C9_    50     1.40383   123.00233   -31.49779
   57    56 S   HA   _H10    51     1.08432   118.85465    -0.31027
   58    50 S   CT   _C13    64     1.54788   115.07262  -170.44943
   59    58 S   HC   _H14    65     1.09650   113.12822    87.82133
   60    58 S   HC   _H15    66     1.09169   112.89557   -33.52040
   61    56 S   CA   _C10    52     1.40136   121.06316  -179.84805
   62    61 S   CA   _C5_    53     1.40630   119.79087     2.34510
   63    61 S   OS   _O34    72     1.37441   124.31920  -178.41563
   64    62 S   CA   _C6_    54     1.39803   119.50806     0.43879
   65    64 S   HA   _H9_    55     1.08607   121.38408   178.47736
   66    62 S   OS   _O33    67     1.37351   115.89133   179.81443
   67    63 S   CT   _C11    73     1.42283   117.25505     9.39026
   68    67 S   HC   _H11    74     1.09427   107.72045   174.25710
   69    67 S   HC   _H12    75     1.09531   111.37654    56.43329
   70    67 S   HC   _H13    76     1.09473   110.95829   -68.17843
   71    52 S   CA   _C7_    56     1.40935   118.25701   153.40330
   72    66 S   CT   _C4_    68     1.42214   117.35282   178.68329
   73    72 S   HC   _H6_    69     1.09429   107.73626  -178.73020
   74    72 S   HC   _H7_    70     1.09490   111.09676    63.59772
   75    72 S   HC   _H8_    71     1.09499   111.19586   -60.99261
   76    71 S   CT   _C15    57     1.51488   119.89433     0.63242
   77    76 S   HC   _H18    58     1.09737   109.77258   133.01030
   78    76 S   HC   _H19    59     1.09764   108.38569  -111.04105
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  13   7  11   6   5   3   1  10   5   4  15
   6  14  12  15   9   5   4  10   4   4   1   1  11  11   6   7
   3   5   3   2   1   1   3   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    52    58    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    50    52    56    71    51    53    58    59    60    43    44  
   38    39    40    48    50    52    58    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    50    52    58    43    44  
   40    41    42    45    50    43    44  
   41    42    45    46    47    48    49    50    51    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    50  
    0  
   46    47    48    49    50    52    76    51    53    58  
   47    48    49    50    51  
   48    49    50    51  
   49    50    52    56    71    76    77    78    51    53    54    55    58    59    60  
   50    52    76    51    53    58  
   52    56    57    61    64    71    76    51    53    54    55    58    59    60  
   53    54    55    58    59    60    52    64    71    76    77    78  
   56    57    61    62    64    65    71    76    77    78    53    58    59    60    63  
   54    55    58    59    60    71    76    77    78  
   55    58    59    60    76  
   58    59    60    76  
   57    61    62    64    71    76    58    66    63    67  
   61    62    71    63  
   59    60    71    76  
   60  
    0  
   62    64    65    71    66    72    63    67    68    69    70  
   64    65    71    76    66    72    73    74    75    63    67  
   67    68    69    70    64    66  
   65    71    76    77    78    66    72  
   71    76    66  
   72    73    74    75    71  
   68    69    70  
   69    70  
   70  
    0  
   76    77    78  
   73    74    75  
   74    75  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   382.000  1.448
   50    52   317.000  1.510
   50    58   268.000  1.529
   52    56   469.000  1.400
   52    71   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   469.000  1.400
   62    66   450.000  1.364
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    51   382.000  1.448
   51    53   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    52    70.00000  112.17500
   33    50    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    51    56.20000  109.47000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    52    70.00000  112.17500
   48    50    58    58.35000  112.70000
   48    51    76    51.80000  107.20000
   48    51    53    51.80000  107.20000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    56    70.00000  120.00000
   50    52    71    70.00000  120.00000
   50    58    53    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   52    56    57    35.00000  120.00000
   52    56    61    63.00000  120.00000
   52    71    64    63.00000  120.00000
   52    71    76    70.00000  120.00000
   56    61    62    63.00000  120.00000
   56    61    63    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    67    75.00000  111.00000
   62    64    65    35.00000  120.00000
   62    64    71    63.00000  120.00000
   62    66    72    75.00000  111.00000
   64    71    76    70.00000  120.00000
   71    52    56    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    51    75.00000  112.33000
   76    51    53    51.80000  107.20000
   78    76    77    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    56.20000  109.47000
   51    76    77    35.00000  109.50000
   51    76    78    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    58    56.20000  109.47000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   55    53    54    33.00000  107.80000
   58    50    52    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   66    62    64    70.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    61    62    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    52   0.56750  1.0 1.0
   29    33    50    52  -0.07550 -1.0 2.0
   29    33    50    52   0.20000  1.0 3.0
   29    33    50    58   0.44750  1.0 1.0
   29    33    50    58  -0.17800 -1.0 2.0
   29    33    50    58   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    50    52    56   0.04150 -1.0 2.0
   33    50    52    71   0.04150 -1.0 2.0
   33    50    58    53   0.56750  1.0 1.0
   33    50    58    53  -0.07550 -1.0 2.0
   33    50    58    53   0.20000  1.0 3.0
   33    50    58    59   0.15000  1.0 3.0
   33    50    58    60   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    52   0.43200  1.0 3.0
   34    33    50    58   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    52  -0.03700  1.0 1.0
   38    33    50    52   0.37200 -1.0 2.0
   38    33    50    52  -0.47300  1.0 3.0
   38    33    50    58   0.56750  1.0 1.0
   38    33    50    58  -0.07550 -1.0 2.0
   38    33    50    58   0.20000  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.56750  1.0 1.0
   40    45    48    50  -0.07550 -1.0 2.0
   40    45    48    50   0.20000  1.0 3.0
   40    45    48    51   1.53400  1.0 1.0
   40    45    48    51  -0.09950 -1.0 2.0
   40    45    48    51   0.05700  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    52  -0.03700  1.0 1.0
   45    48    50    52   0.37200 -1.0 2.0
   45    48    50    52  -0.47300  1.0 3.0
   45    48    50    58   0.56750  1.0 1.0
   45    48    50    58  -0.07550 -1.0 2.0
   45    48    50    58   0.20000  1.0 3.0
   45    48    51    76   0.23450  1.0 1.0
   45    48    51    76   0.02050 -1.0 2.0
   45    48    51    76   0.25250  1.0 3.0
   45    48    51    53   0.23450  1.0 1.0
   45    48    51    53   0.02050 -1.0 2.0
   45    48    51    53   0.25250  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    50    52    56   0.04150 -1.0 2.0
   48    50    52    71   0.04150 -1.0 2.0
   48    50   -58    53   0.56750  1.0 1.0
   48    50   -58    53  -0.07550 -1.0 2.0
   48    50   -58    53   0.20000  1.0 3.0
   48    50    58    59   0.15000  1.0 3.0
   48    50    58    60   0.15000  1.0 3.0
   48    51    53    54   0.28000  1.0 3.0
   48    51    53    55   0.28000  1.0 3.0
   48    51   -53    58   0.23450  1.0 1.0
   48    51   -53    58   0.02050 -1.0 2.0
   48    51   -53    58   0.25250  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    58   0.15000  1.0 3.0
   49    48    51    76   0.28000  1.0 3.0
   49    48    51    53   0.28000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    43   0.86500  1.0 1.0
   50    33    38    43  -0.17500 -1.0 2.0
   50    33    38    43   0.20800  1.0 3.0
   50    48    51    76   0.23450  1.0 1.0
   50    48    51    76   0.02050 -1.0 2.0
   50    48    51    76   0.25250  1.0 3.0
   50    48   -51    53   0.23450  1.0 1.0
   50    48   -51    53   0.02050 -1.0 2.0
   50    48   -51    53   0.25250  1.0 3.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    61   3.62500 -1.0 2.0
   50    52    71    64   3.62500 -1.0 2.0
   50    52   -71    76   3.62500 -1.0 2.0
   52    50    58    53  -0.03700  1.0 1.0
   52    50    58    53   0.37200 -1.0 2.0
   52    50    58    53  -0.47300  1.0 3.0
   52    50    58    59   0.43200  1.0 3.0
   52    50    58    60   0.43200  1.0 3.0
   52    56    61    62   3.62500 -1.0 2.0
   52    56    61    63   3.62500 -1.0 2.0
   52    71    76    77   0.00000  1.0 1.0
   52    71    76    78   0.00000  1.0 1.0
   52    71    76    51   0.18550 -1.0 2.0
   52    71    76    51   0.14000  1.0 3.0
   56    52    71    64   3.62500 -1.0 2.0
   56    52    71    76   3.62500 -1.0 2.0
   56    61   -62    64   3.62500 -1.0 2.0
   56    61    62    66   3.62500 -1.0 2.0
   56    61    63    67   1.63200 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    71   3.62500 -1.0 2.0
   61    62    66    72   1.63200 -1.0 2.0
   61    63    67    68   0.08050  1.0 3.0
   61    63    67    69   0.08050  1.0 3.0
   61    63    67    70   0.08050  1.0 3.0
   62    61    63    67   1.63200 -1.0 2.0
   62    64   -71    52   3.62500 -1.0 2.0
   62    64    71    76   3.62500 -1.0 2.0
   62    66    72    73   0.08050  1.0 3.0
   62    66    72    74   0.08050  1.0 3.0
   62    66    72    75   0.08050  1.0 3.0
   64    62    66    72   1.63200 -1.0 2.0
   64    71    76    77   0.00000  1.0 1.0
   64    71    76    78   0.00000  1.0 1.0
   64    71    76    51   0.18550 -1.0 2.0
   64    71    76    51   0.14000  1.0 3.0
   65    64    71    52   3.62500 -1.0 2.0
   65    64    71    76   3.62500 -1.0 2.0
   71    52    56    57   3.62500 -1.0 2.0
   71    52   -56    61   3.62500 -1.0 2.0
   71    76   -51    48   0.82600  1.0 1.0
   71    76   -51    48  -0.32100 -1.0 2.0
   71    76   -51    48   1.02000  1.0 3.0
   71    76    51    53   0.82600  1.0 1.0
   71    76    51    53  -0.32100 -1.0 2.0
   71    76    51    53   1.02000  1.0 3.0
   76    51    53    54   0.28000  1.0 3.0
   76    51    53    55   0.28000  1.0 3.0
   76    51    53    58   0.23450  1.0 1.0
   76    51    53    58   0.02050 -1.0 2.0
   76    51    53    58   0.25250  1.0 3.0
   77    76    51    48   0.28000  1.0 3.0
   77    76    51    53   0.28000  1.0 3.0
   78    76    51    48   0.28000  1.0 3.0
   78    76    51    53   0.28000  1.0 3.0
   51    48    50    33   1.53400  1.0 1.0
   51    48    50    33  -0.09950 -1.0 2.0
   51    48    50    33   0.05700  1.0 3.0
   51    48   -50    52   0.83750  1.0 1.0
   51    48   -50    52   0.32200 -1.0 2.0
   51    48   -50    52   0.70600  1.0 3.0
   51    48   -50    58   1.53400  1.0 1.0
   51    48   -50    58  -0.09950 -1.0 2.0
   51    48   -50    58   0.05700  1.0 3.0
   51    53   -58    50   1.53400  1.0 1.0
   51    53   -58    50  -0.09950 -1.0 2.0
   51    53   -58    50   0.05700  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   54    53    58    50   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   55    53    58    50   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   58    50    52    56   0.04150 -1.0 2.0
   58    50    52    71   0.04150 -1.0 2.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    71   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   56    71    52    50   4.00000 -1.0 2.0
   61    57    56    52   1.10000 -1.0 2.0
   62    63    61    56   4.00000 -1.0 2.0
   64    66    62    61   4.00000 -1.0 2.0
   71    65    64    62   1.10000 -1.0 2.0
   64    76    71    52   4.00000 -1.0 2.0
END
