* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    163    240     480
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02039   106.63421   -16.00556
    3     1 S   H    _H1_     3     1.02122    57.09549    85.86027
    4     1 S   H    _H2_     4     1.02113    55.04441  -117.48129
    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     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C22    36     1.80959    98.51749   -78.15867
   34    33 S   HC   _H3_    37     1.08808   109.56444    43.66528
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C6_    38     1.51312   107.09638   159.99820
   39    33 S   CT   _C20    85     1.51168   111.26376   -79.94634
   40    39 S   HC   _H47    86     1.09608   110.76092   -57.40696
   41    39 S   HC   _H48    87     1.09670   112.43936  -178.87988
   42    39 S   HC   _H49    88     1.09609   110.63147    61.68084
   43    38 S   CMA  _C7_    39     1.36580   123.71329    62.23075
   44    43 S   OM   _O21    40     1.26858   126.00970     2.66792
   45    38 S   CT   _C12    72     1.52665   113.89814  -114.42859
   46    45 S   HC   _H33    73     1.09848   109.57430    15.30436
   47    45 S   HC   _H34    74     1.09654   107.75284   128.03194
   48    43 S   OS   _O24    41     1.41680   111.17326  -179.84298
   49    48 S   CT   _C15    42     1.44199   116.37892   128.12999
   50    49 S   HC   _H39    43     1.09745   111.38152    48.13213
   51    49 S   CO4  _C8_    44     1.52238    99.31086   160.57609
   52    51 S   O    _O22    45     1.23225   121.18154   -79.62485
   53    49 S   CT   _C13    56     1.53713   110.34705   -75.10585
   54    53 S   HC   _H35    57     1.09803   107.79958    52.32159
   55    53 S   HC   _H36    58     1.09647   111.81824   -61.12506
   56    51 S   CM   _C5_    46     1.48384   119.52842    94.74842
   57    56 S   CM   _C4_    47     1.34139   117.67928    74.01679
   58    57 S   HC   _H28    48     1.08919   118.44864  -179.51141
   59    56 S   CT   _C11    63     1.49883   118.46497  -108.63766
   60    59 S   HC   _H31    64     1.09675   112.32539   176.30997
   61    59 S   HC   _H32    65     1.09661   109.09108   -65.90341
   62    57 S   CT   _C10    49     1.50305   125.94996     3.55600
   63    62 S   HC   _H29    50     1.09749   112.61927    28.64255
   64    62 S   HC   _H30    51     1.09864   105.08395   142.11869
   65    59 S   OS   _O25    66     1.44144   112.15749    51.79383
   66    62 S   NT   _N20    52     1.46659   112.18057   -98.26617
   67    65 S   CO4  _C9_    67     1.36602   117.81898    90.07798
   68    67 S   O    _O23    68     1.22582   125.33354    -7.17261
   69    66 S   CT   _C14    53     1.47418   112.74225    86.13144
   70    69 S   HC   _H37    54     1.09918   107.08066   178.01052
   71    69 S   HC   _H38    55     1.09753   111.02771    62.61842
   72    66 S   CT   _C21    59     1.46689   110.02985  -151.62066
   73    72 S   HC   _H50    60     1.09371   110.10355   180.00000
   74    72 S   HC   _H51    61     1.09310   110.23874    59.99477
   75    72 S   HC   _H52    62     1.09341   110.24325   -60.05105
   76    67 S   CT   _C17    69     1.53392   110.32033   171.10828
   77    76 S   CT   _C16    70     1.55747   111.79207    57.98452
   78    77 S   HC   _H40    71     1.10015   107.88419   -54.63536
   79    76 S   CT   _C19    79     1.53309   107.29105   -67.57587
   80    79 S   HC   _H44    80     1.08635   109.49230   180.00000
   81    79 S   HC   _H45    81     1.08699   109.50079    60.03350
   82    79 S   HC   _H46    82     1.08633   109.51548   -59.97899
   83    76 S   OH   _O26    83     1.42751   105.72983   177.40837
   84    83 S   HO   _H54    84     0.96905   106.44489    60.02569
   85    77 S   CT   _C18    75     1.53612   112.72671  -171.57429
   86    85 S   HC   _H41    76     1.08530   109.34921   -62.06107
   87    85 S   HC   _H42    77     1.08601   109.29543   177.91334
   88    85 S   HC   _H43    78     1.08573   109.29392    57.96511
  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   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4   9
  13   7  13   4   9   5   4  11  11   5   7   3   2  10   4   3
   6   7  11   4   6   2   1   3   2   1   1  12  11   6   6   3
   2   1   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    77    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    76    77    78    45    46    47    85    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    53    77    45    46    47  
   48    49    45  
   46    47    85    86    87    88    79    83    48    67    76    77    78  
   47    85    76    77    78  
   85    76    77    78  
   49    50    51    52    56    69    53    54    55  
   50    51    52    56    57    66    69    70    71    53    54    55    59  
   51    52    56    69    53    54    55  
   52    56    57    58    62    69    53    54    55    59    60    61    65  
   56    57    53    59  
   54    55    72    56    62    66    69    70    71  
   55    66    69    70    71  
   66    69    70    71  
   57    58    62    63    64    66    59    60    61    65    67  
   58    62    63    64    66    69    72    59    60    61    65  
   62    63    64    66    59  
   60    61    65    67    68    76    62  
   61    65    67  
   65    67  
   63    64    66    69    70    71    72    73    74    75  
   64    66    69    72  
   66    69    72  
   67    68    76    77    79    83  
   69    70    71    72    73    74    75  
   68    76    77    78    85    79    80    81    82    83    84  
   76    77    79    83  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    85    86    87    88    79    80    81    82    83    84  
   78    85    86    87    88    79    80    81    82    83    84  
   85    86    87    88    79    83  
   80    81    82    83    84    85  
   81    82    83  
   82    83  
   83  
   84    85  
    0  
   86    87    88  
   87    88  
   88  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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    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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   268.000  1.529
   51    52   570.000  1.229
   51    56   320.000  1.462
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   382.000  1.448
   66    69   382.000  1.448
   66    72   382.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   320.000  1.410
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    76   317.000  1.522
   76    77   268.000  1.529
   76    79   268.000  1.529
   76    83   320.000  1.410
   77    78   340.000  1.090
   77    45   268.000  1.529
   77    85   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    77    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    90.00000  108.74100
   48    49    53    50.00000  109.50000
   49    51    52    80.00000  120.40000
   49    51    56    65.00000  118.62400
   49    53    69    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   51    49    50    35.00000  109.50000
   51    56    57    65.00000  118.96000
   51    56    59    65.00000  116.34900
   56    51    52    80.00000  123.72100
   56    57    58    35.00000  120.00000
   56    57    62    70.00000  124.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    65    85.00000  110.90400
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    66    75.00000  110.70900
   62    57    58    35.00000  117.00000
   62    66    69    51.80000  107.20000
   62    66    72    51.80000  107.20000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    53    56.20000  109.47000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   69    53    54    37.50000  110.70000
   69    53    55    37.50000  110.70000
   71    69    70    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    63.00000  111.10000
   53    69    70    37.50000  110.70000
   53    69    71    37.50000  110.70000
   55    53    54    33.00000  107.80000
   72    66    69    51.80000  107.20000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    56    57    70.00000  124.00000
   59    65    67    83.00000  116.90000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    76    81.00000  111.40000
   67    76    77    63.00000  111.10000
   67    76    79    63.00000  111.10000
   67    76    83    90.00000  109.61100
   76    67    68    80.00000  120.40000
   76    77    78    37.50000  110.70000
   76    77    45    58.35000  112.70000
   76    77    85    58.35000  112.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   76    83    84    55.00000  108.50000
   77    45    46    37.50000  110.70000
   77    45    47    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    77    78    37.50000  110.70000
   47    45    46    33.00000  107.80000
   85    77    78    37.50000  110.70000
   85    77    45    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   79    76    77    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    77    50.00000  109.50000
   83    76    79    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    77   0.46850  1.0 1.0
   33    38    45    77   0.08550 -1.0 2.0
   33    38    45    77   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    77   0.09850  1.0 1.0
   43    38    45    77   0.15250 -1.0 2.0
   43    38    45    77  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.48150  1.0 1.0
   43    48    49    51   0.09250 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    53  -0.46850  1.0 1.0
   43    48    49    53   0.09300 -1.0 2.0
   43    48    49    53  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.30150 -1.0 2.0
   48    49    51    56   0.65300  1.0 1.0
   48    49    51    56  -0.03850 -1.0 2.0
   48    49    51    56   0.33900  1.0 3.0
   48    49    53    69   0.62750  1.0 1.0
   48    49    53    69  -0.30950 -1.0 2.0
   48    49    53    69   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    55   0.23400  1.0 3.0
   49    51    56    57  -0.33500  1.0 1.0
   49    51    56    57   1.06600 -1.0 2.0
   49    51    56    57  -0.14000  1.0 3.0
   49    51    56    59   0.25700  1.0 1.0
   49    51    56    59   0.66200 -1.0 2.0
   49    51    56    59   0.04450  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    53    69   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   51    49    53    69  -0.95700  1.0 1.0
   51    49    53    69  -0.18200 -1.0 2.0
   51    49    53    69   0.29450  1.0 3.0
   51    49    53    54  -0.11250  1.0 3.0
   51    49    53    55  -0.11250  1.0 3.0
   51    56    57    58   7.00000 -1.0 2.0
   51    56    57    62   7.00000 -1.0 2.0
   51    56    59    60   0.15000  1.0 3.0
   51    56    59    61   0.15000  1.0 3.0
   51    56    59    65   0.09700  1.0 1.0
   51    56    59    65   0.15600 -1.0 2.0
   51    56    59    65  -0.50800  1.0 3.0
   52    51    56    57   1.00000 -1.0 2.0
   52    51    56    59  -0.64400  1.0 1.0
   52    51    56    59   0.26850 -1.0 2.0
   56    57    62    63   0.00000  1.0 1.0
   56    57    62    64   0.00000  1.0 1.0
   56    57    62    66   0.90200  1.0 1.0
   56    57    62    66   0.57900 -1.0 2.0
   56    57    62    66  -0.62100  1.0 3.0
   56    59    65    67  -0.82050  1.0 1.0
   56    59    65    67   0.00600 -1.0 2.0
   56    59    65    67   0.04400  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    65   0.39000  1.0 1.0
   57    56    59    65  -0.05800 -1.0 2.0
   57    56    59    65  -0.55150  1.0 3.0
   57    62    66    69  -0.60800  1.0 1.0
   57    62    66    69   1.10050 -1.0 2.0
   57    62    66    69   0.47000  1.0 3.0
   57    62    66    72  -0.60800  1.0 1.0
   57    62    66    72   1.10050 -1.0 2.0
   57    62    66    72   0.47000  1.0 3.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.33100  1.0 3.0
   58    57    62    66   0.00000  1.0 1.0
   62    66    69    70   0.28000  1.0 3.0
   62    66    69    71   0.28000  1.0 3.0
   62    66    69    53   0.23450  1.0 1.0
   62    66    69    53   0.02050 -1.0 2.0
   62    66    69    53   0.25250  1.0 3.0
   62    66    72    73   0.28000  1.0 3.0
   62    66    72    74   0.28000  1.0 3.0
   62    66    72    75   0.28000  1.0 3.0
   63    62    66    69   0.28000  1.0 3.0
   63    62    66    72   0.28000  1.0 3.0
   64    62    66    69   0.28000  1.0 3.0
   64    62    66    72   0.28000  1.0 3.0
   66    69    53    49   1.53400  1.0 1.0
   66    69    53    49  -0.09950 -1.0 2.0
   66    69    53    49   0.05700  1.0 3.0
   66    69    53    54   0.15000  1.0 3.0
   66    69    53    55   0.15000  1.0 3.0
   69    66    72    73   0.28000  1.0 3.0
   69    66    72    74   0.28000  1.0 3.0
   69    66    72    75   0.28000  1.0 3.0
   70    69    53    49   0.15000  1.0 3.0
   70    69    53    54   0.15000  1.0 3.0
   70    69    53    55   0.15000  1.0 3.0
   71    69    53    49   0.15000  1.0 3.0
   71    69    53    54   0.15000  1.0 3.0
   71    69    53    55   0.15000  1.0 3.0
   53    49    51    52   0.30150 -1.0 2.0
   53    49    51    56   0.65300  1.0 1.0
   53    49    51    56  -0.03850 -1.0 2.0
   53    49    51    56   0.33900  1.0 3.0
   72    66    69    70   0.28000  1.0 3.0
   72    66    69    71   0.28000  1.0 3.0
   72    66    69    53   0.23450  1.0 1.0
   72    66    69    53   0.02050 -1.0 2.0
   72    66    69    53   0.25250  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    62   7.00000 -1.0 2.0
   59    65    67    68   3.00000 -1.0 2.0
   59    65    67    76   1.63150  1.0 1.0
   59    65    67    76   2.92000 -1.0 2.0
   60    59    65    67   0.08050  1.0 3.0
   61    59    65    67   0.08050  1.0 3.0
   65    67    76    77   0.36750  1.0 3.0
   65    67    76    79   0.36750  1.0 3.0
   65    67    76    83   0.30750  1.0 1.0
   65    67    76    83   1.13850 -1.0 2.0
   65    67    76    83   0.38850  1.0 3.0
   67    76    77    78  -0.11250  1.0 3.0
   67    76    77    45  -0.95700  1.0 1.0
   67    76    77    45  -0.18200 -1.0 2.0
   67    76    77    45   0.29450  1.0 3.0
   67    76    77    85  -0.95700  1.0 1.0
   67    76    77    85  -0.18200 -1.0 2.0
   67    76    77    85   0.29450  1.0 3.0
   67    76    79    80  -0.11250  1.0 3.0
   67    76    79    81  -0.11250  1.0 3.0
   67    76    79    82  -0.11250  1.0 3.0
   67    76    83    84   0.91850  1.0 1.0
   67    76    83    84   0.57950  1.0 3.0
   68    67    76    77   0.30150 -1.0 2.0
   68    67    76    79   0.30150 -1.0 2.0
   68    67    76    83   0.30150 -1.0 2.0
   76    77    45    38   0.34400  1.0 1.0
   76    77    45    38   0.09450 -1.0 2.0
   76    77    45    38   0.11100  1.0 3.0
   76    77    45    46   0.15000  1.0 3.0
   76    77    45    47   0.15000  1.0 3.0
   76    77    85    86   0.15000  1.0 3.0
   76    77    85    87   0.15000  1.0 3.0
   76    77    85    88   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   77    76    83    84  -0.11600  1.0 1.0
   77    76    83    84  -0.09450 -1.0 2.0
   77    76    83    84   0.21250  1.0 3.0
   78    77    45    38   0.15000  1.0 3.0
   78    77    45    46   0.15000  1.0 3.0
   78    77    45    47   0.15000  1.0 3.0
   78    77    85    86   0.15000  1.0 3.0
   78    77    85    87   0.15000  1.0 3.0
   78    77    85    88   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    77    85    86   0.15000  1.0 3.0
   45    77    85    87   0.15000  1.0 3.0
   45    77    85    88   0.15000  1.0 3.0
   85    77    45    38   0.34400  1.0 1.0
   85    77    45    38   0.09450 -1.0 2.0
   85    77    45    38   0.11100  1.0 3.0
   85    77    45    46   0.15000  1.0 3.0
   85    77    45    47   0.15000  1.0 3.0
   79    76    77    78   0.15000  1.0 3.0
   79    76    77    45   0.56750  1.0 1.0
   79    76    77    45  -0.07550 -1.0 2.0
   79    76    77    45   0.20000  1.0 3.0
   79    76    77    85   0.56750  1.0 1.0
   79    76    77    85  -0.07550 -1.0 2.0
   79    76    77    85   0.20000  1.0 3.0
   79    76    83    84  -0.11600  1.0 1.0
   79    76    83    84  -0.09450 -1.0 2.0
   79    76    83    84   0.21250  1.0 3.0
   83    76    77    78   0.23400  1.0 3.0
   83    76    77    45   0.86500  1.0 1.0
   83    76    77    45  -0.17500 -1.0 2.0
   83    76    77    45   0.20800  1.0 3.0
   83    76    77    85   0.86500  1.0 1.0
   83    76    77    85  -0.17500 -1.0 2.0
   83    76    77    85   0.20800  1.0 3.0
   83    76    79    80   0.23400  1.0 3.0
   83    76    79    81   0.23400  1.0 3.0
   83    76    79    82   0.23400  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   49    56    51    52  10.50000 -1.0 2.0
   51    59    56    57   1.10000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   65    76    67    68  10.50000 -1.0 2.0
END
