* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    143    226     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02121    92.96428   -64.09714
    3     1 S   H    _H1_     3     1.02117    87.43928    44.51979
    4     1 S   H    _H2_     4     1.02125    33.16106   175.49372
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.86406    96.84252  -180.00000
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C5_    37     1.51991   105.07062   -60.00049
   38    37 S   HC   _H23    38     1.09069   115.72577    87.27790
   39    33 S   CM   _C6_    68     1.52971   107.21394    62.12523
   40    39 S   HC   _H24    69     1.09459   113.44664    31.20214
   41    33 S   CT   _C17    74     1.53861   106.33630   177.75860
   42    41 S   HC   _H38    75     1.09738   110.97723   -64.20442
   43    41 S   HC   _H39    76     1.09727   111.97746   176.80622
   44    41 S   HC   _H40    77     1.09713   112.20125    55.86770
   45    37 S   CM   _C4_    39     1.34352   127.20268   -92.69013
   46    45 S   HC   _H22    40     1.08483   120.64260     0.23573
   47    39 S   CMA  _C7_    70     1.35637   130.94144  -146.17538
   48    47 S   OM   _O16    71     1.26346   128.26339     0.28116
   49    45 S   CT   _C12    41     1.49836   123.56756   179.96044
   50    47 S   OH   _O18    72     1.41045   110.71265   179.42802
   51    50 S   HO   _H41    73     0.97345   105.24220  -180.00000
   52    49 S   CT   _C13    42     1.54253   115.80934  -149.97899
   53    49 S   OH   _O20    66     1.43558   104.95120   -28.08053
   54    53 S   HO   _H43    67     0.96673   105.95109   -60.01404
   55    52 S   CT   _C8_    43     1.55308   110.32865   -55.45037
   56    55 S   HC   _H25    44     1.09919   110.06151  -179.72589
   57    55 S   HC   _H26    45     1.09815   110.36114    65.30994
   58    52 S   CT   _C10    53     1.53792    99.88018  -171.22510
   59    58 S   HC   _H29    54     1.09463   113.14189   153.41783
   60    58 S   HC   _H30    55     1.09516   112.82001   -84.09514
   61    52 S   CT   _C15    62     1.52925   114.77781    69.42044
   62    61 S   HC   _H32    63     1.08800   109.77568    54.88298
   63    61 S   HC   _H33    64     1.08907   109.72205   -65.08186
   64    61 S   HC   _H34    65     1.08809   109.75576   174.93361
   65    55 S   CT   _C11    46     1.53312   113.31736   -58.43681
   66    65 S   HC   _H31    47     1.09729   108.59552   -81.67027
   67    65 S   CT   _C9_    48     1.53171   112.96340    39.45618
   68    67 S   HC   _H27    49     1.09626   110.88260    86.05199
   69    67 S   HC   _H28    50     1.09891   107.13303  -159.97446
   70    65 S   OH   _O19    60     1.42382   109.12038   162.30078
   71    70 S   HO   _H42    61     0.97062   106.65856    60.03587
   72    49 S   CT   _C14    51     1.54639   117.25858    94.44053
   73    72 S   OS   _O17    52     1.45327   104.13411   168.01408
   74    72 S   CT   _C16    56     1.52595   114.79918   -73.23012
   75    74 S   HC   _H35    57     1.08978   109.91604   -53.29250
   76    74 S   HC   _H36    58     1.08923   109.89631  -173.29589
   77    74 S   HC   _H37    59     1.08955   109.89009    66.71780
  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
  14   2   1   1  14   5  10   4   5   2   1   1  12   4   3   2
  23   1   1  19   8   1  18   7   6  11   4   3   6   2   1   1
   9   6  10   5   4   2   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    39    40    47    48    50    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    52    72    53    39    40    47    41    42    43    44  
   45    46    49    39    41  
   40    47    48    50    51    41    42    43    44    45  
   47    48    50    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    49    52    55    67    72    73    58    74    61    53    54  
   49    52    72    53  
   48    50    51  
   50    51  
   52    55    56    57    65    67    68    69    72    73    58    59    60    74    75    76    77    61    62    63    64    53    54  
   51  
    0  
   55    56    57    65    66    67    72    73    58    59    60    74    70    61    62    63    64    53    54  
   54    55    58    61    67    72    73    74  
   72  
   56    57    65    66    67    68    69    72    73    58    59    60    70    71    61    62    63    64  
   57    65    66    67    58    70    61  
   65    66    67    58    70    61  
   59    60    74    61    62    63    64    65    67    72    73  
   60    61    72    73  
   61    72    73  
   62    63    64    65    72    73  
   63    64  
   64  
    0  
   66    67    68    69    72    73    74    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    75    76    77    70    71  
   69    72    73    74    70  
   72    73    74    70  
   71    72  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   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    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    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    52   268.000  1.529
   49    72   268.000  1.529
   49    53   320.000  1.410
   52    55   268.000  1.529
   52    58   268.000  1.529
   52    61   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   320.000  1.410
   72    74   268.000  1.529
   73    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   70    71   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    50   510.000  1.338
   50    51   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    49    70.00000  124.00000
   45    37    38    35.00000  120.00000
   45    49    52    70.00000  112.02700
   45    49    72    70.00000  112.02700
   45    49    53    90.00000  110.39200
   49    45    46    35.00000  117.00000
   49    52    55    58.35000  112.70000
   49    52    58    58.35000  112.70000
   49    52    61    58.35000  112.70000
   49    72    67    58.35000  112.70000
   49    72    73    50.00000  109.50000
   49    72    74    58.35000  112.70000
   49    53    54    55.00000  108.50000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    65    58.35000  112.70000
   52    58    73    50.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   55    65    66    37.50000  110.70000
   55    65    67    58.35000  112.70000
   55    65    70    50.00000  109.50000
   57    55    56    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    57    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    58.35000  112.70000
   65    70    71    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    72    73    50.00000  109.50000
   67    72    74    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    49    52    58.35000  112.70000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    73    58    60.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   73    58    59    35.00000  109.50000
   73    58    60    35.00000  109.50000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   74    72    73    50.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   61    52    55    58.35000  112.70000
   61    52    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    49    52    50.00000  109.50000
   53    49    72    50.00000  109.50000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    50    80.00000  121.38400
   47    39    40    40.00000  120.50800
   47    50    51    70.00000  107.45700
   50    47    48   115.00000  116.36000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    49   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    50   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    52   0.09850  1.0 1.0
   37    45    49    52   0.15250 -1.0 2.0
   37    45    49    52  -0.50650  1.0 3.0
   37    45    49    72   0.09850  1.0 1.0
   37    45    49    72   0.15250 -1.0 2.0
   37    45    49    72  -0.50650  1.0 3.0
   37    45    49    53   0.67800  1.0 1.0
   37    45    49    53   0.47050 -1.0 2.0
   37    45    49    53  -0.62500  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    49   7.00000 -1.0 2.0
   45    49    52    55   0.34400  1.0 1.0
   45    49    52    55   0.09450 -1.0 2.0
   45    49    52    55   0.11100  1.0 3.0
   45    49    52    58   0.34400  1.0 1.0
   45    49    52    58   0.09450 -1.0 2.0
   45    49    52    58   0.11100  1.0 3.0
   45    49    52    61   0.34400  1.0 1.0
   45    49    52    61   0.09450 -1.0 2.0
   45    49    52    61   0.11100  1.0 3.0
   45    49    72    67   0.34400  1.0 1.0
   45    49    72    67   0.09450 -1.0 2.0
   45    49    72    67   0.11100  1.0 3.0
   45    49    72    73   0.61850  1.0 1.0
   45    49    72    73  -0.22750 -1.0 2.0
   45    49    72    73   0.15300  1.0 3.0
   45    49    72    74   0.34400  1.0 1.0
   45    49    72    74   0.09450 -1.0 2.0
   45    49    72    74   0.11100  1.0 3.0
   45    49    53    54  -0.07800  1.0 1.0
   45    49    53    54  -0.21500 -1.0 2.0
   45    49    53    54  -0.03150  1.0 3.0
   46    45    49    52   0.00000  1.0 1.0
   46    45    49    72   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    65   0.56750  1.0 1.0
   49    52    55    65  -0.07550 -1.0 2.0
   49    52    55    65   0.20000  1.0 3.0
   49    52   -58    73   0.62750  1.0 1.0
   49    52   -58    73  -0.30950 -1.0 2.0
   49    52   -58    73   0.27300  1.0 3.0
   49    52    58    59   0.15000  1.0 3.0
   49    52    58    60   0.15000  1.0 3.0
   49    52    61    62   0.15000  1.0 3.0
   49    52    61    63   0.15000  1.0 3.0
   49    52    61    64   0.15000  1.0 3.0
   49    72   -73    58   0.06250  1.0 1.0
   49    72   -73    58  -0.01100 -1.0 2.0
   49    72   -73    58   0.28050  1.0 3.0
   49    72    74    75   0.15000  1.0 3.0
   49    72    74    76   0.15000  1.0 3.0
   49    72    74    77   0.15000  1.0 3.0
   52    49    72    67   0.56750  1.0 1.0
   52    49    72    67  -0.07550 -1.0 2.0
   52    49    72    67   0.20000  1.0 3.0
   52    49   -72    73   0.62750  1.0 1.0
   52    49   -72    73  -0.30950 -1.0 2.0
   52    49   -72    73   0.27300  1.0 3.0
   52    49    72    74   0.56750  1.0 1.0
   52    49    72    74  -0.07550 -1.0 2.0
   52    49    72    74   0.20000  1.0 3.0
   52    49    53    54  -0.11600  1.0 1.0
   52    49    53    54  -0.09450 -1.0 2.0
   52    49    53    54   0.21250  1.0 3.0
   52    55    65    66   0.15000  1.0 3.0
   52    55   -65    67   0.56750  1.0 1.0
   52    55   -65    67  -0.07550 -1.0 2.0
   52    55   -65    67   0.20000  1.0 3.0
   52    55    65    70   0.86500  1.0 1.0
   52    55    65    70  -0.17500 -1.0 2.0
   52    55    65    70   0.20800  1.0 3.0
   55    52    58    73   0.62750  1.0 1.0
   55    52    58    73  -0.30950 -1.0 2.0
   55    52    58    73   0.27300  1.0 3.0
   55    52    58    59   0.15000  1.0 3.0
   55    52    58    60   0.15000  1.0 3.0
   55    52    61    62   0.15000  1.0 3.0
   55    52    61    63   0.15000  1.0 3.0
   55    52    61    64   0.15000  1.0 3.0
   55    65    67    68   0.15000  1.0 3.0
   55    65    67    69   0.15000  1.0 3.0
   55    65    67    72   0.56750  1.0 1.0
   55    65    67    72  -0.07550 -1.0 2.0
   55    65    67    72   0.20000  1.0 3.0
   55    65    70    71  -0.11600  1.0 1.0
   55    65    70    71  -0.09450 -1.0 2.0
   55    65    70    71   0.21250  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    70   0.23400  1.0 3.0
   57    55    65    66   0.15000  1.0 3.0
   57    55    65    67   0.15000  1.0 3.0
   57    55    65    70   0.23400  1.0 3.0
   65    67   -72    49   0.56750  1.0 1.0
   65    67   -72    49  -0.07550 -1.0 2.0
   65    67   -72    49   0.20000  1.0 3.0
   65    67    72    73   0.62750  1.0 1.0
   65    67    72    73  -0.30950 -1.0 2.0
   65    67    72    73   0.27300  1.0 3.0
   65    67    72    74   0.56750  1.0 1.0
   65    67    72    74  -0.07550 -1.0 2.0
   65    67    72    74   0.20000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71  -0.11600  1.0 1.0
   67    65    70    71  -0.09450 -1.0 2.0
   67    65    70    71   0.21250  1.0 3.0
   67    72    73    58   0.06250  1.0 1.0
   67    72    73    58  -0.01100 -1.0 2.0
   67    72    73    58   0.28050  1.0 3.0
   67    72    74    75   0.15000  1.0 3.0
   67    72    74    76   0.15000  1.0 3.0
   67    72    74    77   0.15000  1.0 3.0
   68    67    72    49   0.15000  1.0 3.0
   68    67    72    73   0.23400  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   69    67    72    49   0.15000  1.0 3.0
   69    67    72    73   0.23400  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   72    49   -52    55   0.56750  1.0 1.0
   72    49   -52    55  -0.07550 -1.0 2.0
   72    49   -52    55   0.20000  1.0 3.0
   72    49   -52    58   0.56750  1.0 1.0
   72    49   -52    58  -0.07550 -1.0 2.0
   72    49   -52    58   0.20000  1.0 3.0
   72    49    52    61   0.56750  1.0 1.0
   72    49    52    61  -0.07550 -1.0 2.0
   72    49    52    61   0.20000  1.0 3.0
   72    49    53    54  -0.11600  1.0 1.0
   72    49    53    54  -0.09450 -1.0 2.0
   72    49    53    54   0.21250  1.0 3.0
   72    73   -58    52   0.06250  1.0 1.0
   72    73   -58    52  -0.01100 -1.0 2.0
   72    73   -58    52   0.28050  1.0 3.0
   72    73    58    59   0.37050  1.0 3.0
   72    73    58    60   0.37050  1.0 3.0
   73    72    74    75   0.23400  1.0 3.0
   73    72    74    76   0.23400  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    65   0.56750  1.0 1.0
   58    52    55    65  -0.07550 -1.0 2.0
   58    52    55    65   0.20000  1.0 3.0
   58    52    61    62   0.15000  1.0 3.0
   58    52    61    63   0.15000  1.0 3.0
   58    52    61    64   0.15000  1.0 3.0
   74    72    73    58   0.06250  1.0 1.0
   74    72    73    58  -0.01100 -1.0 2.0
   74    72    73    58   0.28050  1.0 3.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    72   0.86500  1.0 1.0
   70    65    67    72  -0.17500 -1.0 2.0
   70    65    67    72   0.20800  1.0 3.0
   61    52    55    56   0.15000  1.0 3.0
   61    52    55    57   0.15000  1.0 3.0
   61    52    55    65   0.56750  1.0 1.0
   61    52    55    65  -0.07550 -1.0 2.0
   61    52    55    65   0.20000  1.0 3.0
   61    52    58    73   0.62750  1.0 1.0
   61    52    58    73  -0.30950 -1.0 2.0
   61    52    58    73   0.27300  1.0 3.0
   61    52    58    59   0.15000  1.0 3.0
   61    52    58    60   0.15000  1.0 3.0
   53    49    52    55   0.86500  1.0 1.0
   53    49    52    55  -0.17500 -1.0 2.0
   53    49    52    55   0.20800  1.0 3.0
   53    49    52    58   0.86500  1.0 1.0
   53    49    52    58  -0.17500 -1.0 2.0
   53    49    52    58   0.20800  1.0 3.0
   53    49    52    61   0.86500  1.0 1.0
   53    49    52    61  -0.17500 -1.0 2.0
   53    49    52    61   0.20800  1.0 3.0
   53    49    72    67   0.86500  1.0 1.0
   53    49    72    67  -0.17500 -1.0 2.0
   53    49    72    67   0.20800  1.0 3.0
   53    49    72    73   3.69350  1.0 1.0
   53    49    72    73  -1.82950 -1.0 2.0
   53    49    72    74   0.86500  1.0 1.0
   53    49    72    74  -0.17500 -1.0 2.0
   53    49    72    74   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    47    50    51  -0.66100  1.0 1.0
   39    47    50    51   1.20850 -1.0 2.0
   39    47    50    51  -0.36000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    50   7.00000 -1.0 2.0
   48    47    50    51   2.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   49    46    45    37  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    50    47    39  15.00000 -1.0 2.0
END
