* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    166    251     476
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02029   106.59491   -11.76892
    3     1 S   H    _H1_     3     1.02073    54.54618    89.68557
    4     1 S   H    _H2_     4     1.02157    57.59478  -113.69367
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.83343    97.68909   161.83618
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CO4  _C16    37     1.52575   109.66871   160.00560
   38    37 S   O    _O35    38     1.22854   123.93908   -26.76582
   39    33 S   NTH2 _N6_    92     1.46569   109.40363    44.40235
   40    39 S   H    _H12    93     0.99557   117.89140  -158.62680
   41    39 S   H    _H13    94     0.99518   117.87148    34.75011
   42    37 S   CA   _C15    39     1.48050   117.51971   157.48881
   43    42 S   CA   _C14    40     1.38773   121.46826    -8.40289
   44    43 S   CA   _C13    41     1.39346   118.10557   177.14926
   45    44 S   HA   _H8_    42     1.08706   121.37081  -178.90461
   46    43 S   CO4  _C19    83     1.47573   121.20325    -4.12094
   47    46 S   O    _O36    84     1.22657   120.77642   170.88152
   48    44 S   CA   _C12    43     1.39076   119.53758     0.46182
   49    48 S   HA   _H7_    44     1.08452   120.17017  -179.67016
   50    33 S   CT   _C18    85     1.53455   109.89695   -76.77697
   51    50 S   HC   _H3_    86     1.07234   112.65193    66.80431
   52    48 S   CA   _C11    45     1.38553   117.99994     0.05234
   53    50 S   OS   _O37    87     1.42430   111.27848   -54.95408
   54    52 S   CA   _C8_    46     1.44342   120.95753   179.45464
   55    42 S   NB   _N5_    82     1.35365   114.77512   169.68399
   56    53 S   CT   _C20    88     1.42183   111.61818   158.51200
   57    56 S   HC   _H9_    89     1.09331   109.55401  -179.97202
   58    56 S   HC   _H10    90     1.09241   109.55618    59.22331
   59    56 S   HC   _H11    91     1.09289   109.00500   -60.40837
   60    54 S   CA   _C7_    47     1.38567   122.28047  -120.00279
   61    60 S   CA   _C6_    48     1.39062   117.91317  -179.97202
   62    60 S   NE   _N7_    79     1.41094   120.93282     0.07662
   63    62 S   H    _H14    80     0.99953   119.19948   176.80598
   64    62 S   H    _H15    81     0.99927   119.08937     3.05992
   65    61 S   CA   _C21    49     1.45332   120.35962  -179.94405
   66    61 S   CA   _C5_    69     1.39035   119.73735    -0.00000
   67    65 S   CA   _C22    50     1.39479   119.12368    89.94365
   68    67 S   HA   _H16    51     1.08766   120.92519     0.11869
   69    66 S   CA   _C9_    70     1.38585   117.92522    -0.00000
   70    66 S   CT   _C4_    75     1.49453   121.45526   180.00000
   71    70 S   HC   _H4_    76     1.09575   110.25421    90.01838
   72    70 S   HC   _H5_    77     1.09603   111.19780  -149.45695
   73    70 S   HC   _H6_    78     1.09739   111.10579   -30.46198
   74    67 S   CA   _C23    52     1.39504   119.99942  -179.91377
   75    74 S   HA   _H17    53     1.08690   119.57265  -179.92087
   76    54 S   NB   _N4_    71     1.35234   113.72127    60.04251
   77    69 S   CO3  _C10    72     1.47571   120.02182   179.95154
   78    77 S   O2Z  _O34    73     1.28573   118.62465   -90.00069
   79    77 S   O2Z  _O33    74     1.28665   118.54281    90.04960
   80    74 S   CA   _C24    54     1.39435   120.01271     0.06256
   81    80 S   CA   _C25    55     1.39539   120.01748    -0.08156
   82    80 S   OS   _O40    64     1.36214   119.39581  -179.92338
   83    65 S   CA   _C26    56     1.39527   120.88182   -89.92584
   84    81 S   OS   _O39    59     1.36363   119.91747   179.96044
   85    82 S   CT   _C28    65     1.42629   117.05252    -0.13122
   86    85 S   HC   _H22    66     1.09210   109.53033  -180.00000
   87    85 S   HC   _H23    67     1.09312   109.50095    59.24526
   88    85 S   HC   _H24    68     1.09290   108.98958   -60.32039
   89    83 S   OH   _O38    57     1.36482   120.64359     0.03426
   90    89 S   HO   _H18    58     0.96938   110.07637  -179.98022
   91    84 S   CT   _C27    60     1.42512   116.97680    90.02301
   92    91 S   HC   _H19    61     1.09294   109.52264   179.97202
   93    91 S   HC   _H20    62     1.09281   109.52855    59.20892
   94    91 S   HC   _H21    63     1.09248   109.01420   -60.39932
  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  13   5   7   2   1  10  11   9   4   7   3   6
   3   6   2   7   4  11   2   3   2   1   1  11  18   5   1   1
  13  11   8   4   8   5   2   1   1   7   3   3   2   1   1  10
  10   6   4   5   3   2   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    51    53    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    55    46    47    50    51    53    56    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    52    55    46    50    51    53    39    40    41  
   42    43    55    50    39  
   40    41    42    46    50    51    53  
   41    50  
   50  
   43    44    45    48    52    54    55    46    47    50  
   44    45    48    49    52    55    46    47    50    51    53  
   45    48    49    52    54    55    46    47    50  
   48    49    52    46  
   47    50    51    53    56    48    55  
   50    51    53  
   49    52    54    60    76    55  
   52    54    55  
   51    53    56    57    58    59  
   53    56  
   54    60    61    69    76    62    55  
   56    57    58    59  
   60    61    65    66    69    76    77    62    63    64    55  
   60    76  
   57    58    59  
   58    59  
   59  
    0  
   61    65    67    83    66    69    76    70    62    63    64  
   65    67    68    74    81    83    89    66    69    76    77    70    71    72    73    62    63    64  
   63    64    65    66    76  
   64  
    0  
   67    68    74    75    80    81    83    89    90    84    66    69    70  
   69    76    77    78    79    70    71    72    73    67    83  
   68    74    75    80    81    83    89    82  
   74    75    80    83  
   76    77    78    79    70    71    72    73  
   71    72    73    76    77  
   72    73  
   73  
    0  
   75    80    81    83    84    82    85  
   80    81    82  
   77    78    79  
   78    79  
   79  
    0  
   81    83    89    84    91    82    85    86    87    88  
   83    89    90    84    91    92    93    94    82    85  
   85    86    87    88    83    84  
   89    90    84    91  
   91    92    93    94    89  
   86    87    88  
   87    88  
   88  
    0  
   90  
    0  
   92    93    94  
   93    94  
   94  
    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   0.347500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.407000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.092000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.292000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   77   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    50   268.000  1.529
   33    39   300.000  1.468
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    43   469.000  1.400
   42    55   483.000  1.339
   43    44   469.000  1.400
   43    46   310.000  1.470
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    54   375.000  1.464
   52    55   483.000  1.339
   54    60   469.000  1.400
   54    76   483.000  1.339
   60    61   469.000  1.400
   60    62   481.000  1.340
   61    65   375.000  1.464
   61    66   469.000  1.400
   65    67   469.000  1.400
   65    83   469.000  1.400
   67    68   367.000  1.080
   67    74   469.000  1.400
   74    75   367.000  1.080
   74    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    83   469.000  1.400
   81    84   450.000  1.364
   83    89   450.000  1.364
   89    90   553.000  0.945
   84    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   82    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   66    69   469.000  1.400
   66    70   317.000  1.510
   69    76   483.000  1.339
   69    77   400.000  1.490
   77    78   656.000  1.250
   77    79   656.000  1.250
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    63   434.000  1.010
   62    64   434.000  1.010
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    53   320.000  1.410
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   495.000  1.019
   39    41   495.000  1.019
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    53    50.00000  109.50000
   33    39    40    50.00000  110.30900
   33    39    41    50.00000  110.30900
   37    42    43    60.00000  119.52600
   37    42    55    75.00000  117.56100
   42    37    38    75.00000  123.78400
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  119.52600
   42    55    52    70.00000  117.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    75.00000  123.78400
   43    46    50    65.00000  115.47100
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    54    60.00000  122.76000
   48    52    55    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    54    60    60.00000  122.76000
   52    54    76    70.00000  116.69200
   54    60    61    63.00000  120.00000
   54    60    62    70.00000  120.10000
   54    76    69    70.00000  117.00000
   60    61    65    60.00000  122.76000
   60    61    66    63.00000  120.00000
   60    62    63    35.00000  113.50000
   60    62    64    35.00000  113.50000
   61    65    67    60.00000  122.76000
   61    65    83    60.00000  122.76000
   61    66    69    63.00000  120.00000
   61    66    70    70.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    74    63.00000  120.00000
   65    83    81    63.00000  120.00000
   65    83    89    70.00000  120.00000
   67    74    75    35.00000  120.00000
   67    74    80    63.00000  120.00000
   74    67    68    35.00000  120.00000
   74    80    81    63.00000  120.00000
   74    80    82    70.00000  120.00000
   80    74    75    35.00000  120.00000
   80    81    83    63.00000  120.00000
   80    81    84    70.00000  120.00000
   80    82    85    75.00000  111.00000
   81    83    89    70.00000  120.00000
   81    84    91    75.00000  111.00000
   83    65    67    63.00000  120.00000
   83    89    90    35.00000  113.00000
   84    81    83    70.00000  120.00000
   84    91    92    35.00000  109.50000
   84    91    93    35.00000  109.50000
   84    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   82    80    81    70.00000  120.00000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   66    61    65    60.00000  122.76000
   66    69    76    70.00000  124.00000
   66    69    77    85.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   69    77    78    80.00000  120.40000
   69    77    79    80.00000  120.40000
   76    54    60    70.00000  124.00000
   77    69    76    75.00000  117.56100
   79    77    78    80.00000  126.00000
   70    66    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    60    61    70.00000  120.10000
   64    62    63    35.00000  109.00000
   55    42    43    70.00000  124.00000
   55    52    54    70.00000  116.69200
   46    43    44    60.00000  119.52600
   46    50    51    35.00000  109.50000
   46    50    53    90.00000  108.74100
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    53    56    60.00000  109.50000
   53    50    51    35.00000  109.50000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    75.00000  112.82000
   39    33    50    80.00000  112.76400
   41    39    40    40.00000  106.77200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    39    40  -0.05900  1.0 1.0
   29    33    39    40   0.08350 -1.0 2.0
   29    33    39    40   0.12500  1.0 3.0
   29    33    39    41  -0.05900  1.0 1.0
   29    33    39    41   0.08350 -1.0 2.0
   29    33    39    41   0.12500  1.0 3.0
   33    37    42    43   2.26350  1.0 1.0
   33    37    42    43   0.76750 -1.0 2.0
   33    37    42    43   0.22500  1.0 3.0
   33    37    42    55   0.56600 -1.0 2.0
   33    50    53    56   0.06250  1.0 1.0
   33    50    53    56  -0.01100 -1.0 2.0
   33    50    53    56   0.28050  1.0 3.0
   37    33    50    46   0.11950  1.0 1.0
   37    33    50    46   0.20300 -1.0 2.0
   37    33    50    46  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    53  -0.09450  1.0 1.0
   37    33    50    53  -1.12950 -1.0 2.0
   37    33    50    53   0.54000  1.0 3.0
   37    33    39    40   0.21900  1.0 1.0
   37    33    39    40  -0.24900 -1.0 2.0
   37    33    39    40   0.15200  1.0 3.0
   37    33    39    41   0.21900  1.0 1.0
   37    33    39    41  -0.24900 -1.0 2.0
   37    33    39    41   0.15200  1.0 3.0
   37    42    43    44   3.62500 -1.0 2.0
   37    42   -43    46   3.62500 -1.0 2.0
   37    42    55    52   3.62500 -1.0 2.0
   38    37    42    43   1.05000 -1.0 2.0
   38    37    42    55   1.05000 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    47   1.05000 -1.0 2.0
   42    43    46    50   2.26350  1.0 1.0
   42    43    46    50   0.76750 -1.0 2.0
   42    43    46    50   0.22500  1.0 3.0
   43    42    55    52   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44   -48    52   3.62500 -1.0 2.0
   43    46   -50    33   0.05850 -1.0 2.0
   43    46   -50    33   0.17250  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    53   0.65300  1.0 1.0
   43    46    50    53  -0.03850 -1.0 2.0
   43    46    50    53   0.33900  1.0 3.0
   44    43    46    47   1.05000 -1.0 2.0
   44    43    46    50   2.26350  1.0 1.0
   44    43    46    50   0.76750 -1.0 2.0
   44    43    46    50   0.22500  1.0 3.0
   44    48    52    54   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52    54    60  -0.19450  1.0 1.0
   48    52    54    60   0.63300 -1.0 2.0
   48    52    54    60   0.07450  1.0 3.0
   48    52    54    76   0.04300  1.0 1.0
   48    52    54    76   0.58850 -1.0 2.0
   48    52    54    76   0.22750  1.0 3.0
   48    52   -55    42   3.62500 -1.0 2.0
   49    48    52    54   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    54    60    61   3.62500 -1.0 2.0
   52    54    60    62   3.62500 -1.0 2.0
   52    54    76    69   3.62500 -1.0 2.0
   54    52    55    42   3.62500 -1.0 2.0
   54    60    61    65   3.62500 -1.0 2.0
   54    60    61    66   3.62500 -1.0 2.0
   54    60    62    63   1.00000 -1.0 2.0
   54    60    62    64   1.00000 -1.0 2.0
   60    54    76    69   3.62500 -1.0 2.0
   60    61    65    67  -0.19450  1.0 1.0
   60    61    65    67   0.63300 -1.0 2.0
   60    61    65    67   0.07450  1.0 3.0
   60    61    65    83  -0.19450  1.0 1.0
   60    61    65    83   0.63300 -1.0 2.0
   60    61    65    83   0.07450  1.0 3.0
   60    61   -66    69   3.62500 -1.0 2.0
   60    61    66    70   3.62500 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    60    62    64   1.00000 -1.0 2.0
   61    65    67    68   3.62500 -1.0 2.0
   61    65    67    74   3.62500 -1.0 2.0
   61    65    83    81   3.62500 -1.0 2.0
   61    65    83    89   3.62500 -1.0 2.0
   61    66    69    76   3.62500 -1.0 2.0
   61    66    69    77   3.62500 -1.0 2.0
   61    66    70    71   0.00000  1.0 1.0
   61    66    70    72   0.00000  1.0 1.0
   61    66    70    73   0.00000  1.0 1.0
   65    61    66    69   3.62500 -1.0 2.0
   65    61    66    70   3.62500 -1.0 2.0
   65    67    74    75   3.62500 -1.0 2.0
   65    67    74    80   3.62500 -1.0 2.0
   65    83    89    90   0.84100 -1.0 2.0
   67    65    83    81   3.62500 -1.0 2.0
   67    65    83    89   3.62500 -1.0 2.0
   67    74   -80    81   3.62500 -1.0 2.0
   67    74    80    82   3.62500 -1.0 2.0
   68    67    74    75   3.62500 -1.0 2.0
   68    67    74    80   3.62500 -1.0 2.0
   74    80    81    83   3.62500 -1.0 2.0
   74    80    81    84   3.62500 -1.0 2.0
   74    80    82    85   1.63200 -1.0 2.0
   75    74    80    81   3.62500 -1.0 2.0
   75    74    80    82   3.62500 -1.0 2.0
   80    81   -83    65   3.62500 -1.0 2.0
   80    81    83    89   3.62500 -1.0 2.0
   80    81    84    91   1.63200 -1.0 2.0
   80    82    85    86   0.08050  1.0 3.0
   80    82    85    87   0.08050  1.0 3.0
   80    82    85    88   0.08050  1.0 3.0
   81    80    82    85   1.63200 -1.0 2.0
   81    83    89    90   0.84100 -1.0 2.0
   81    84    91    92   0.08050  1.0 3.0
   81    84    91    93   0.08050  1.0 3.0
   81    84    91    94   0.08050  1.0 3.0
   83    65    67    68   3.62500 -1.0 2.0
   83    65   -67    74   3.62500 -1.0 2.0
   83    81    84    91   1.63200 -1.0 2.0
   84    81    83    65   3.62500 -1.0 2.0
   84    81    83    89   3.62500 -1.0 2.0
   82    80    81    83   3.62500 -1.0 2.0
   82    80    81    84   3.62500 -1.0 2.0
   66    61    65    67  -0.19450  1.0 1.0
   66    61    65    67   0.63300 -1.0 2.0
   66    61    65    67   0.07450  1.0 3.0
   66    61    65    83  -0.19450  1.0 1.0
   66    61    65    83   0.63300 -1.0 2.0
   66    61    65    83   0.07450  1.0 3.0
   66    69   -76    54   3.62500 -1.0 2.0
   66    69    77    78   1.05000 -1.0 2.0
   66    69    77    79   1.05000 -1.0 2.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    73   0.00000  1.0 1.0
   76    54   -60    61   3.62500 -1.0 2.0
   76    54    60    62   3.62500 -1.0 2.0
   76    69    77    78   1.05000 -1.0 2.0
   76    69    77    79   1.05000 -1.0 2.0
   77    69    76    54   3.62500 -1.0 2.0
   70    66    69    76   3.62500 -1.0 2.0
   70    66    69    77   3.62500 -1.0 2.0
   62    60    61    65   3.62500 -1.0 2.0
   62    60    61    66   3.62500 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    46   3.62500 -1.0 2.0
   55    52    54    60   0.04300  1.0 1.0
   55    52    54    60   0.58850 -1.0 2.0
   55    52    54    60   0.22750  1.0 3.0
   55    52    54    76   0.60800  1.0 1.0
   55    52    54    76   1.31550 -1.0 2.0
   55    52    54    76   1.01100  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
   46    50    53    56  -1.11000  1.0 1.0
   46    50    53    56   0.50250 -1.0 2.0
   46    50    53    56   0.47450  1.0 3.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    53   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    42   0.05850 -1.0 2.0
   50    33   -37    42   0.17250  1.0 3.0
   50    33    39    40   0.21650  1.0 1.0
   50    33    39    40   0.26250 -1.0 2.0
   50    33    39    40   0.12450  1.0 3.0
   50    33    39    41   0.21650  1.0 1.0
   50    33    39    41   0.26250 -1.0 2.0
   50    33    39    41   0.12450  1.0 3.0
   50    53    56    57   0.37050  1.0 3.0
   50    53    56    58   0.37050  1.0 3.0
   50    53    56    59   0.37050  1.0 3.0
   51    50    53    56   0.37050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    50    46  -3.56550  1.0 1.0
   39    33    50    46  -0.67500 -1.0 2.0
   39    33    50    46   1.11300  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    53   3.18800  1.0 1.0
   39    33    50    53  -1.12350 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   43    55    42    37   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   54    55    52    48   4.00000 -1.0 2.0
   60    76    54    52   4.00000 -1.0 2.0
   61    62    60    54   4.00000 -1.0 2.0
   65    66    61    60   4.00000 -1.0 2.0
   67    83    65    61   4.00000 -1.0 2.0
   74    68    67    65   1.10000 -1.0 2.0
   80    75    74    67   1.10000 -1.0 2.0
   81    82    80    74   4.00000 -1.0 2.0
   83    84    81    80   4.00000 -1.0 2.0
   81    89    83    65   4.00000 -1.0 2.0
   69    70    66    61   4.00000 -1.0 2.0
   77    76    69    66   4.00000 -1.0 2.0
   78    69    77    79  10.50000 -1.0 2.0
   64    60    62    63   1.00000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
END
