* LIGAND DATABASE FILE (OPLS2005)
*
001      96    98    170    261     493
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050   101.93026    15.08939
    3     1 S   H    _H1_     3     1.02122    39.78909   120.04265
    4     1 S   H    _H2_     4     1.02122    74.41375   -91.26026
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   _C24    36     1.82992    98.17542   161.78523
   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   _C16    37     1.49298   109.19921  -180.00000
   38    33 S   OH   _O34    95     1.41913   110.66068   -57.25204
   39    38 S   HO   _H62    96     0.97038   106.49535   -61.55856
   40    37 S   OS   _O29    38     1.39333   112.93188   -98.58909
   41    37 S   CM   _C18    68     1.33877   126.62696    85.06000
   42    41 S   HC   _H40    69     1.08830   117.34052     1.74955
   43    40 S   CO4  _C17    39     1.36753   106.74567   -12.12361
   44    43 S   O    _O28    40     1.22392   123.39038  -178.68985
   45    41 S   CA   _C10    70     1.43132   124.51346  -179.98022
   46    33 S   CT   _C23    41     1.53043   111.12167    69.02189
   47    46 S   HC   _H43    42     1.10289   112.38398   -13.89962
   48    45 S   CA   _C4_    71     1.39530   119.89194   121.73744
   49    48 S   HA   _H34    72     1.08734   120.81505     0.03426
   50    46 S   CA   _C11    43     1.51618   116.12536  -138.25980
   51    48 S   CA   _C6_    73     1.39407   119.99803   179.93439
   52    51 S   HA   _H36    74     1.08693   119.66699  -179.90109
   53    50 S   CA   _C5_    44     1.39530   119.99861    96.76864
   54    53 S   HA   _H35    45     1.08702   120.43926     0.05595
   55    51 S   CA   _C14    75     1.39561   120.00203    -0.01978
   56    53 S   CA   _C7_    46     1.39486   119.99999   179.89532
   57    56 S   HA   _H37    47     1.08715   119.55592  -179.90513
   58    55 S   CA   _C12    76     1.39399   119.97876     0.01978
   59    55 S   OH   _O30    93     1.36275   119.19888   179.93439
   60    59 S   HO   _H60    94     0.96975   110.21916     0.02798
   61    56 S   CA   _C15    48     1.39492   120.01439     0.09487
   62    45 S   CA   _C8_    77     1.39462   120.10371   -58.33398
   63    62 S   HA   _H38    78     1.08801   120.30434     0.05935
   64    58 S   CT   _C29    79     1.49335   120.68292  -179.97202
   65    64 S   HC   _H56    80     1.10377   110.05471    45.02104
   66    64 S   HC   _H57    81     1.10041   110.23050   158.85087
   67    61 S   CA   _C13    49     1.39515   120.00698    -0.06256
   68    61 S   OH   _O33    66     1.36261   119.19938   179.85463
   69    68 S   HO   _H61    67     0.96919   110.22134    -0.01978
   70    64 S   CM   _C19    82     1.50800   112.91328   -75.31210
   71    70 S   HC   _H41    83     1.08949   114.07693    92.55598
   72    50 S   CA   _C9_    50     1.39492   120.01589   -83.23894
   73    72 S   HA   _H39    51     1.08738   119.98034    -0.00000
   74    67 S   CT   _C30    52     1.49311   120.70806  -179.96044
   75    74 S   HC   _H58    53     1.10329   110.00489    44.99361
   76    74 S   HC   _H59    54     1.09958   110.21605   158.80231
   77    70 S   CM   _C21    84     1.34699   128.06588   -88.35602
   78    74 S   CM   _C20    55     1.50855   112.91213   -75.33776
   79    78 S   HC   _H42    56     1.08958   114.02969    92.51889
   80    77 S   CT   _C25    85     1.50258   125.31034  -179.96574
   81    80 S   HC   _H44    86     1.09130   113.62573    89.97988
   82    80 S   HC   _H45    87     1.09498   110.06041  -150.07527
   83    80 S   HC   _H46    88     1.09513   110.01047   -30.87778
   84    77 S   CT   _C26    89     1.50547   120.37465    -0.48537
   85    84 S   HC   _H47    90     1.09570   112.42313    89.96998
   86    84 S   HC   _H48    91     1.09556   110.24611  -149.94231
   87    84 S   HC   _H49    92     1.09534   110.28273   -30.13353
   88    78 S   CM   _C22    57     1.34665   128.04271   -88.38646
   89    88 S   CT   _C27    58     1.50170   125.25828   180.00000
   90    89 S   HC   _H50    59     1.09209   113.65673    90.07451
   91    89 S   HC   _H51    60     1.09548   110.05397  -150.10529
   92    89 S   HC   _H52    61     1.09492   110.13787   -30.81313
   93    88 S   CT   _C28    62     1.50610   120.39814    -0.43296
   94    93 S   HC   _H53    63     1.09585   112.41179    89.96326
   95    93 S   HC   _H54    64     1.09473   110.20970  -149.95772
   96    93 S   HC   _H55    65     1.09435   110.23878   -30.11593
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   2   1   1  13   7   1   8  10   3   6   3   9   8   3   8
   4   9   7   3   8   4   9   7   3  10   3   1   9   5   1   7
   4   3  10   3   1  10   3   5   1   7   4   3   8  10   3   7
   3   2   1   3   2   1   1   8   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    43    46    47    50    41    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    44    46    47    50    53    72    41    42    45    38    39  
   35    36  
   36  
    0  
   40    43    44    46    47    50    41    42    45    48    62    38    39  
   39    40    41    43    46    47    50  
   46  
   43    44    46    47    50    41    42    45  
   42    45    48    49    51    58    62    63    43    46  
   45    48    62  
   44    46    47    50    53    72  
   46    47    50  
   48    49    51    52    55    58    62    63    64  
   47    50    53    54    56    67    72    73  
   50    53    72  
   49    51    52    55    58    62    63    59  
   51    52    55    62  
   53    54    56    57    61    67    72    73    74  
   52    55    58    62    64    59    60  
   55    58    59  
   54    56    57    61    67    72    73    68  
   56    57    61    72  
   58    62    63    64    65    66    70    59    60  
   57    61    67    72    74    68    69  
   61    67    68  
   62    63    64    65    66    70    71    77    59    60  
   60    62    64  
    0  
   67    72    73    74    75    76    78    68    69  
   63    64    65    66    70  
   64  
   65    66    70    71    77    80    84  
   66    70    71    77  
   70    71    77  
   72    73    74    75    76    78    79    88    68    69  
   69    72    74  
    0  
   71    77    80    81    82    83    84    85    86    87  
   77    80    84  
   73    74    75    76    78  
   74  
   75    76    78    79    88    89    93  
   76    78    79    88  
   78    79    88  
   80    81    82    83    84    85    86    87  
   79    88    89    90    91    92    93    94    95    96  
   88    89    93  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92    93    94    95    96  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93  
   94    95    96  
   95    96  
   96  
    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   0.432500   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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660  -0.005000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   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    46   268.000  1.529
   33    38   320.000  1.410
   37    40   440.000  1.360
   37    41   549.000  1.340
   40    43   214.000  1.327
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    47   340.000  1.090
   46    50   317.000  1.510
   50    53   469.000  1.400
   50    72   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    67   469.000  1.400
   61    68   450.000  1.364
   67    72   469.000  1.400
   67    74   317.000  1.510
   72    73   367.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   317.000  1.510
   78    79   340.000  1.080
   78    88   549.000  1.340
   88    89   317.000  1.510
   88    93   317.000  1.510
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   68    69   553.000  0.945
   41    42   340.000  1.080
   41    45   320.000  1.460
   45    48   469.000  1.400
   45    62   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    62   469.000  1.400
   58    64   317.000  1.510
   62    63   367.000  1.080
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.510
   70    71   340.000  1.080
   70    77   549.000  1.340
   77    80   317.000  1.510
   77    84   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   59    60   553.000  0.945
   38    39   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    46    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    85.00000  112.85300
   33    37    41    70.00000  124.00000
   33    46    43    63.00000  111.10000
   33    46    47    37.50000  110.70000
   33    46    50    70.00000  112.17500
   33    38    39    55.00000  108.50000
   37    40    43    90.00000  114.22900
   37    41    42    35.00000  120.00000
   37    41    45    60.00000  123.20500
   40    43    44    83.00000  123.40000
   40    43    46    81.00000  111.40000
   43    46    47    35.00000  109.50000
   43    46    50    70.00000  110.93000
   46    33    37    70.00000  112.02700
   46    43    44    80.00000  120.40000
   46    50    53    70.00000  120.00000
   46    50    72    70.00000  120.00000
   50    46    47    35.00000  109.50000
   50    53    54    35.00000  120.00000
   50    53    56    63.00000  120.00000
   50    72    67    63.00000  120.00000
   50    72    73    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    61    67    63.00000  120.00000
   56    61    68    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    67    72    63.00000  120.00000
   61    67    74    70.00000  120.00000
   61    68    69    35.00000  113.00000
   67    72    73    35.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    78    70.00000  112.99600
   72    50    53    63.00000  120.00000
   74    67    72    70.00000  120.00000
   74    78    79    35.00000  117.00000
   74    78    88    70.00000  124.00000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    88    89    70.00000  124.00000
   78    88    93    70.00000  124.00000
   88    78    79    35.00000  120.00000
   88    89    90    35.00000  109.50000
   88    89    91    35.00000  109.50000
   88    89    92    35.00000  109.50000
   88    93    94    35.00000  109.50000
   88    93    95    35.00000  109.50000
   88    93    96    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   93    88    89    65.00000  117.92700
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   68    61    67    70.00000  120.00000
   41    37    40    80.00000  120.01400
   41    45    48    60.00000  120.93500
   41    45    62    60.00000  120.93500
   45    41    42    40.00000  117.26300
   45    48    49    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    62    58    63.00000  120.00000
   45    62    63    35.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    55    58    63.00000  120.00000
   51    55    59    70.00000  120.00000
   55    51    52    35.00000  120.00000
   55    58    62    63.00000  120.00000
   55    58    64    70.00000  120.00000
   55    59    60    35.00000  113.00000
   58    62    63    35.00000  120.00000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    70    70.00000  112.99600
   62    45    48    63.00000  120.00000
   64    58    62    70.00000  120.00000
   64    70    71    35.00000  117.00000
   64    70    77    70.00000  124.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    77    80    70.00000  124.00000
   70    77    84    70.00000  124.00000
   77    70    71    35.00000  120.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   77    84    85    35.00000  109.50000
   77    84    86    35.00000  109.50000
   77    84    87    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    77    80    65.00000  117.92700
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   59    55    58    70.00000  120.00000
   38    33    37    90.00000  110.39200
   38    33    46    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    50   0.56750  1.0 1.0
   29    33    46    50  -0.07550 -1.0 2.0
   29    33    46    50   0.20000  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37   -40    43   2.00000 -1.0 2.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    46    50    53   0.04150 -1.0 2.0
   33    46    50    72   0.04150 -1.0 2.0
   37    33   -46    43  -0.98800  1.0 1.0
   37    33   -46    43   0.48800 -1.0 2.0
   37    33   -46    43   0.76800  1.0 3.0
   37    33    46    47   0.15000  1.0 3.0
   37    33    46    50   0.21200  1.0 1.0
   37    33    46    50   0.16900 -1.0 2.0
   37    33    46    50  -1.15100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    43    44   3.00000 -1.0 2.0
   37    40   -43    46   0.82650  1.0 1.0
   37    40   -43    46   1.69000 -1.0 2.0
   37    41    45    48   0.15800  1.0 1.0
   37    41    45    48   1.85350 -1.0 2.0
   37    41    45    48  -0.48700  1.0 3.0
   37    41    45    62   0.15800  1.0 1.0
   37    41    45    62   1.85350 -1.0 2.0
   37    41    45    62  -0.48700  1.0 3.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    45   7.00000 -1.0 2.0
   40    43   -46    33   0.36750  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.40000  1.0 3.0
   43    46    50    53   0.04300 -1.0 2.0
   43    46    50    72   0.04300 -1.0 2.0
   44    43    46    33   0.30150 -1.0 2.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    50   0.30150 -1.0 2.0
   46    33   -37    40   0.09700  1.0 1.0
   46    33   -37    40   0.15600 -1.0 2.0
   46    33   -37    40  -0.50800  1.0 3.0
   46    33    37    41   0.09850  1.0 1.0
   46    33    37    41   0.15250 -1.0 2.0
   46    33    37    41  -0.50650  1.0 3.0
   46    33    38    39  -0.11600  1.0 1.0
   46    33    38    39  -0.09450 -1.0 2.0
   46    33    38    39   0.21250  1.0 3.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50    53    56   3.62500 -1.0 2.0
   46    50    72    67   3.62500 -1.0 2.0
   46    50    72    73   3.62500 -1.0 2.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    50    72   0.00000  1.0 1.0
   50    53    56    57   3.62500 -1.0 2.0
   50    53    56    61   3.62500 -1.0 2.0
   53    50    72    67   3.62500 -1.0 2.0
   53    50    72    73   3.62500 -1.0 2.0
   53    56   -61    67   3.62500 -1.0 2.0
   53    56    61    68   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    61   3.62500 -1.0 2.0
   56    61    67    72   3.62500 -1.0 2.0
   56    61    67    74   3.62500 -1.0 2.0
   56    61    68    69   0.84100 -1.0 2.0
   57    56    61    67   3.62500 -1.0 2.0
   57    56    61    68   3.62500 -1.0 2.0
   61    67   -72    50   3.62500 -1.0 2.0
   61    67    72    73   3.62500 -1.0 2.0
   61    67    74    75   0.00000  1.0 1.0
   61    67    74    76   0.00000  1.0 1.0
   61    67    74    78   0.18050 -1.0 2.0
   67    61    68    69   0.84100 -1.0 2.0
   67    74    78    79   0.00000  1.0 1.0
   67    74    78    88   1.44450  1.0 1.0
   67    74    78    88   0.06600 -1.0 2.0
   67    74    78    88   0.29250  1.0 3.0
   72    50    53    54   3.62500 -1.0 2.0
   72    50   -53    56   3.62500 -1.0 2.0
   72    67    74    75   0.00000  1.0 1.0
   72    67    74    76   0.00000  1.0 1.0
   72    67    74    78   0.18050 -1.0 2.0
   74    67    72    50   3.62500 -1.0 2.0
   74    67    72    73   3.62500 -1.0 2.0
   74    78    88    89   7.00000 -1.0 2.0
   74    78    88    93   7.00000 -1.0 2.0
   75    74    78    79   0.33100  1.0 3.0
   75    74    78    88   0.00000  1.0 1.0
   76    74    78    79   0.33100  1.0 3.0
   76    74    78    88   0.00000  1.0 1.0
   78    88    89    90   0.00000  1.0 1.0
   78    88    89    91   0.00000  1.0 1.0
   78    88    89    92   0.00000  1.0 1.0
   78    88    93    94   0.00000  1.0 1.0
   78    88    93    95   0.00000  1.0 1.0
   78    88    93    96   0.00000  1.0 1.0
   79    78    88    89   7.00000 -1.0 2.0
   79    78    88    93   7.00000 -1.0 2.0
   89    88    93    94   0.34800  1.0 3.0
   89    88    93    95   0.34800  1.0 3.0
   89    88    93    96   0.34800  1.0 3.0
   93    88    89    90   0.34800  1.0 3.0
   93    88    89    91   0.34800  1.0 3.0
   93    88    89    92   0.34800  1.0 3.0
   68    61    67    72   3.62500 -1.0 2.0
   68    61    67    74   3.62500 -1.0 2.0
   41    37    40    43  -1.93650  1.0 1.0
   41    37    40    43   2.17750 -1.0 2.0
   41    37    40    43  -0.40250  1.0 3.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45    48    51   3.62500 -1.0 2.0
   41    45    62    58   3.62500 -1.0 2.0
   41    45    62    63   3.62500 -1.0 2.0
   42    41    45    48   0.56550  1.0 3.0
   42    41    45    62   0.56550  1.0 3.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    55   3.62500 -1.0 2.0
   48    45    62    58   3.62500 -1.0 2.0
   48    45    62    63   3.62500 -1.0 2.0
   48    51   -55    58   3.62500 -1.0 2.0
   48    51    55    59   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   51    55    58    62   3.62500 -1.0 2.0
   51    55    58    64   3.62500 -1.0 2.0
   51    55    59    60   0.84100 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    58   -62    45   3.62500 -1.0 2.0
   55    58    62    63   3.62500 -1.0 2.0
   55    58    64    65   0.00000  1.0 1.0
   55    58    64    66   0.00000  1.0 1.0
   55    58    64    70   0.18050 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   58    64    70    71   0.00000  1.0 1.0
   58    64    70    77   1.44450  1.0 1.0
   58    64    70    77   0.06600 -1.0 2.0
   58    64    70    77   0.29250  1.0 3.0
   62    45    48    49   3.62500 -1.0 2.0
   62    45   -48    51   3.62500 -1.0 2.0
   62    58    64    65   0.00000  1.0 1.0
   62    58    64    66   0.00000  1.0 1.0
   62    58    64    70   0.18050 -1.0 2.0
   64    58    62    45   3.62500 -1.0 2.0
   64    58    62    63   3.62500 -1.0 2.0
   64    70    77    80   7.00000 -1.0 2.0
   64    70    77    84   7.00000 -1.0 2.0
   65    64    70    71   0.33100  1.0 3.0
   65    64    70    77   0.00000  1.0 1.0
   66    64    70    71   0.33100  1.0 3.0
   66    64    70    77   0.00000  1.0 1.0
   70    77    80    81   0.00000  1.0 1.0
   70    77    80    82   0.00000  1.0 1.0
   70    77    80    83   0.00000  1.0 1.0
   70    77    84    85   0.00000  1.0 1.0
   70    77    84    86   0.00000  1.0 1.0
   70    77    84    87   0.00000  1.0 1.0
   71    70    77    80   7.00000 -1.0 2.0
   71    70    77    84   7.00000 -1.0 2.0
   80    77    84    85   0.34800  1.0 3.0
   80    77    84    86   0.34800  1.0 3.0
   80    77    84    87   0.34800  1.0 3.0
   84    77    80    81   0.34800  1.0 3.0
   84    77    80    82   0.34800  1.0 3.0
   84    77    80    83   0.34800  1.0 3.0
   59    55    58    62   3.62500 -1.0 2.0
   59    55    58    64   3.62500 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    41   0.67800  1.0 1.0
   38    33    37    41   0.47050 -1.0 2.0
   38    33    37    41  -0.62500  1.0 3.0
   38    33    46    43  -0.09450  1.0 1.0
   38    33    46    43  -1.12950 -1.0 2.0
   38    33    46    43   0.54000  1.0 3.0
   38    33    46    47   0.23400  1.0 3.0
   38    33    46    50   1.13150  1.0 1.0
   38    33    46    50  -1.01400 -1.0 2.0
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    40    37    41   1.10000 -1.0 2.0
   40    46    43    44  10.50000 -1.0 2.0
   53    72    50    46   4.00000 -1.0 2.0
   56    54    53    50   1.10000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   67    68    61    56   4.00000 -1.0 2.0
   72    74    67    61   4.00000 -1.0 2.0
   67    73    72    50   1.10000 -1.0 2.0
   74    79    78    88  15.00000 -1.0 2.0
   89    93    88    78  15.00000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   48    62    45    41   4.00000 -1.0 2.0
   51    49    48    45   1.10000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   58    59    55    51   4.00000 -1.0 2.0
   62    64    58    55   4.00000 -1.0 2.0
   58    63    62    45   1.10000 -1.0 2.0
   64    71    70    77  15.00000 -1.0 2.0
   80    84    77    70  15.00000 -1.0 2.0
END
