* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    140    223     407
    1     0 S   NP   _N1_     1    28.96131    99.01243   -23.65884
    2     1 S   H    _HN1     2     1.02946    58.05069     4.79281
    3     1 S   H    _H1_     3     1.02826    50.69189   168.00474
    4     1 S   H    _H2_     4     1.02792   110.07564   -94.88413
    5     1 S   CT   _CA1     5     1.50126   137.56555    90.57665
    6     5 S   HC   _HA1     6     1.09572   105.14918   113.08735
    7     5 S   CO3  _C1_     7     1.53772   112.57911    -7.09346
    8     7 S   O2Z  _O11     8     1.26373   114.99655   -39.69824
    9     7 S   O2Z  _O12     9     1.26242   114.96227   139.39409
   10     5 S   CT   _CB1    10     1.53070   107.41009  -128.89822
   11    10 S   HC   HB11    11     1.09841   109.31578   -49.13255
   12    10 S   HC   HB12    12     1.09810   110.46317    67.47116
   13    10 S   CT   _CG1    13     1.53011   112.65091  -170.07382
   14    13 S   HC   HG11    14     1.09567   110.74160   -68.10029
   15    13 S   HC   HG12    15     1.09672   109.67268    51.14091
   16    13 S   C    _CD1    16     1.51803   112.03315   171.64927
   17    16 S   O    _OE1    17     1.22746   123.19530    13.22938
   18    16 S   N    _N2_    18     1.38635   111.78471  -166.79412
   19    18 S   H    _HN2    19     1.01567   118.95884     1.22029
   20    18 S   CT1  _CA2    20     1.46259   123.45047   176.33307
   21    20 S   HC   _HA2    21     1.09740   109.33698     7.69850
   22    20 S   C    _C2_    22     1.53708   108.69515  -107.77075
   23    22 S   O    _O2_    23     1.23071   122.28474  -148.25491
   24    20 S   CT   _CB2    32     1.53482   111.48549   129.82250
   25    24 S   HC   HB21    33     1.09345   109.47879    56.37021
   26    24 S   HC   HB22    34     1.09446   109.61739   175.22418
   27    22 S   N    _N3_    24     1.38332   113.84309    39.21790
   28    27 S   H    _HN3    25     1.01538   119.62481    -3.00479
   29    24 S   S    _SG2    35     1.82863   111.03862   -65.70138
   30    27 S   CT   _CA3    26     1.45281   123.30663   177.30507
   31    30 S   HC   HA31    27     1.09546   107.48870   -65.47931
   32    30 S   HC   HA32    28     1.09555   108.03201    50.99361
   33    29 S   CT   _C5_    36     1.88883   102.84233   165.75317
   34    30 S   CO3  _C3_    29     1.52986   114.01981   173.00627
   35    34 S   O2Z  _O31    30     1.26387   116.07595    -0.68414
   36    34 S   O2Z  _O32    31     1.26425   114.41618   179.37945
   37    33 S   CT   _C7_    37     1.57005   107.22043   174.06717
   38    37 S   HC   _H3_    38     1.10125   108.34611   171.67624
   39    33 S   CT   _C4_    68     1.54727   106.54431   -69.53067
   40    39 S   HC   _H4_    69     1.09449   112.16971    70.99789
   41    39 S   HC   _H5_    70     1.09640   110.98184  -169.82305
   42    39 S   HC   _H6_    71     1.09626   112.12512   -50.63804
   43    33 S   CT   _C6_    72     1.58349   109.86434    51.73394
   44    43 S   OM   _O33    73     1.32697   109.73219   175.22931
   45    43 S   HC   _H7_    74     1.09999   106.26895   -59.00032
   46    43 S   HC   _H8_    75     1.10239   105.90538    47.94903
   47    37 S   CT   _C8_    39     1.53929   116.18175   -66.63549
   48    47 S   HC   _H9_    40     1.09217   112.28664    31.87651
   49    47 S   HC   _H10    41     1.09311   110.35651   -91.38592
   50    37 S   OS   _O36    50     1.45171   111.40441    57.08882
   51    47 S   CA   _C9_    42     1.48929   100.45428   148.99901
   52    51 S   CA   _C14    43     1.39536   131.91289   165.47646
   53    52 S   CA   _C13    44     1.43502   116.32850  -177.34775
   54    52 S   NE   _N4_    63     1.41179   124.27694     0.28393
   55    53 S   CA   _C12    45     1.44406   124.12619    -2.70342
   56    55 S   OM   _O35    46     1.27931   125.40153   179.59314
   57    53 S   CO4  _C21    51     1.50713   116.15305   177.19021
   58    57 S   O    _O34    52     1.22502   123.13975   161.60204
   59    54 S   CT   _C22    64     1.46258   120.10301    25.87467
   60    59 S   HC   _H16    65     1.09449   110.99631   -90.73449
   61    59 S   HC   _H17    66     1.09698   112.13559   148.25325
   62    59 S   HC   _H18    67     1.09437   111.71944    32.34497
   63    55 S   CA   _C11    47     1.40929   114.83998     0.60231
   64    63 S   HA   _H11    48     1.08987   120.08701   179.75292
   65    57 S   CA   _C20    53     1.47685   118.74695   -18.02662
   66    51 S   CA   _C10    49     1.38587   107.54501   -14.36469
   67    65 S   CA   _C19    54     1.40202   119.66456  -162.50367
   68    67 S   HA   _H15    55     1.08682   121.03857     1.04642
   69    67 S   CA   _C18    56     1.39120   119.82737  -179.34778
   70    69 S   HA   _H14    57     1.08595   120.14333  -179.67736
   71    69 S   CA   _C17    58     1.39051   119.66638    -0.00000
   72    71 S   HA   _H13    59     1.08644   119.97900  -179.34419
   73    71 S   CA   _C16    60     1.39866   120.16347     0.40056
   74    73 S   HA   _H12    61     1.08712   117.55235  -178.61718
   75    65 S   CA   _C15    62     1.40009   118.64797    19.11208
  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  13   5   4   3
  16   2   1   1  17   8   9   3   2   1   5   2   1   1   9   5
   4   6  10  15  12  13   7   4   8   3   6   3   2   1   2   1
   8   1   7   4   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    50    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    51    66    50    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    51    52    63    66    50    39    40    41    42    43    44    45    46  
   47    48    49    51    66    50    39    43  
   40    41    42    43    44    45    46    47    50  
   41    42    43  
   42    43  
   43  
   44    45    46    47    50  
   45    46  
   46  
    0  
   48    49    51    52    53    63    66    50    54  
   49    51    52    66    50  
   51    52    66    50  
   51    52    55    63    64    66  
   52    53    55    63    64    66    57    75    54    59  
   53    55    56    63    66    57    58    65    73    75    54    59    60    61    62  
   55    56    63    64    66    57    58    65    67    75    54    59  
   59    60    61    62    55    57    65    66    67    71    73    74    75  
   56    63    64    66    57    58    65  
   63    64    66    57  
   58    65    67    68    69    73    75    63  
   65    67    75  
   60    61    62    65    73    75  
   61    62    75  
   62    75  
   75  
   64    66  
   66  
   67    68    69    70    71    73    74    75  
    0  
   68    69    70    71    72    73    75  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.085000   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    47   268.000  1.529
   37    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   317.000  1.510
   51    52   469.000  1.400
   51    66   469.000  1.400
   52    53   469.000  1.400
   52    54   481.000  1.340
   53    55   469.000  1.400
   53    57   310.000  1.470
   55    56   450.000  1.364
   55    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    50   450.000  1.364
   57    58   570.000  1.229
   57    65   310.000  1.470
   65    67   469.000  1.400
   65    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    54   481.000  1.340
   54    59   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    37    50    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    50.00000  109.50000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    51    70.00000  112.17500
   37    50    66    75.00000  111.00000
   47    37    38    37.50000  110.70000
   47    51    52    70.00000  120.00000
   47    51    66    70.00000  120.00000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
   51    52    53    63.00000  120.00000
   51    52    54    70.00000  120.10000
   51    66    63    63.00000  120.00000
   51    66    50    70.00000  120.00000
   52    53    55    63.00000  120.00000
   52    53    57    60.00000  119.52600
   52    54    75    50.00000  129.00000
   52    54    59    50.00000  120.00000
   53    55    56    70.00000  120.00000
   53    55    63    63.00000  120.00000
   53    57    58    75.00000  123.78400
   53    57    65    65.00000  116.00000
   55    63    64    35.00000  120.00000
   55    63    66    63.00000  120.00000
   63    55    56    70.00000  120.00000
   63    66    50    70.00000  120.00000
   66    51    52    63.00000  120.00000
   66    63    64    35.00000  120.00000
   50    37    38    35.00000  109.50000
   50    37    47    50.00000  109.50000
   57    53    55    60.00000  119.52600
   57    65    67    60.00000  119.52600
   57    65    75    60.00000  119.52600
   65    57    58    75.00000  123.78400
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   65    75    73    63.00000  120.00000
   65    75    54    70.00000  120.10000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    54    70.00000  120.10000
   75    65    67    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    54    59    50.00000  120.00000
   54    52    53    70.00000  120.10000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   45    43    44    45.00000  125.66300
   46    43    44    45.00000  125.66300
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    37    50   0.56750  1.0 1.0
   29    33    37    50  -0.07550 -1.0 2.0
   29    33    37    50   0.20000  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
   29    33    43    44   0.56750  1.0 1.0
   29    33    43    44  -0.07550 -1.0 2.0
   29    33    43    44   0.20000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    51  -0.03700  1.0 1.0
   33    37    47    51   0.37200 -1.0 2.0
   33    37    47    51  -0.47300  1.0 3.0
   33    37    50    66  -0.32850  1.0 1.0
   33    37    50    66  -0.35800 -1.0 2.0
   33    37    50    66   0.33950  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.62750  1.0 1.0
   37    33    43    44  -0.30950 -1.0 2.0
   37    33    43    44   0.27300  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    51    52   0.04150 -1.0 2.0
   37    47   -51    66   0.04150 -1.0 2.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.43200  1.0 3.0
   38    37    50    66   0.08050  1.0 3.0
   47    37   -50    66  -0.32850  1.0 1.0
   47    37   -50    66  -0.35800 -1.0 2.0
   47    37   -50    66   0.33950  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    54   3.62500 -1.0 2.0
   47    51    66    63   3.62500 -1.0 2.0
   47    51   -66    50   3.62500 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    66   0.00000  1.0 1.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    66   0.00000  1.0 1.0
   51    52    53    55   3.62500 -1.0 2.0
   51    52    53    57   3.62500 -1.0 2.0
   51    52    54    75   0.17750 -1.0 2.0
   51    52    54    59  -1.00000  1.0 1.0
   51    52    54    59   1.25000 -1.0 2.0
   51    66   -50    37   1.63200 -1.0 2.0
   52    51    66    63   3.62500 -1.0 2.0
   52    51    66    50   3.62500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53   -55    63   3.62500 -1.0 2.0
   52    53    57    58   1.05000 -1.0 2.0
   52    53    57    65   0.56600 -1.0 2.0
   52    54    59    60   0.00000  1.0 1.0
   52    54    59    61   0.00000  1.0 1.0
   52    54    59    62   0.00000  1.0 1.0
   53    52    54    75   0.17750 -1.0 2.0
   53    52    54    59  -1.00000  1.0 1.0
   53    52    54    59   1.25000 -1.0 2.0
   53    55    63    64   3.62500 -1.0 2.0
   53    55    63    66   3.62500 -1.0 2.0
   53    57    65    67   0.56600 -1.0 2.0
   53    57   -65    75   0.56600 -1.0 2.0
   55    53    57    58   1.05000 -1.0 2.0
   55    53    57    65   0.56600 -1.0 2.0
   55    63   -66    51   3.62500 -1.0 2.0
   55    63    66    50   3.62500 -1.0 2.0
   56    55    63    64   3.62500 -1.0 2.0
   56    55    63    66   3.62500 -1.0 2.0
   63    66    50    37   1.63200 -1.0 2.0
   64    63    66    51   3.62500 -1.0 2.0
   64    63    66    50   3.62500 -1.0 2.0
   66    51   -52    53   3.62500 -1.0 2.0
   66    51    52    54   3.62500 -1.0 2.0
   50    37    47    48   0.23400  1.0 3.0
   50    37    47    49   0.23400  1.0 3.0
   50    37   -47    51  -0.64350  1.0 1.0
   50    37   -47    51  -0.04200 -1.0 2.0
   50    37   -47    51   0.19800  1.0 3.0
   57    53    55    56   3.62500 -1.0 2.0
   57    53    55    63   3.62500 -1.0 2.0
   57    65    67    68   3.62500 -1.0 2.0
   57    65    67    69   3.62500 -1.0 2.0
   57    65    75    73   3.62500 -1.0 2.0
   57    65    75    54   3.62500 -1.0 2.0
   58    57    65    67   1.05000 -1.0 2.0
   58    57    65    75   1.05000 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   65    75   -54    52   0.17750 -1.0 2.0
   65    75    54    59  -1.00000  1.0 1.0
   65    75    54    59   1.25000 -1.0 2.0
   67    65    75    73   3.62500 -1.0 2.0
   67    65    75    54   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    65   3.62500 -1.0 2.0
   71    73    75    54   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    54    52   0.17750 -1.0 2.0
   73    75    54    59  -1.00000  1.0 1.0
   73    75    54    59   1.25000 -1.0 2.0
   74    73    75    65   3.62500 -1.0 2.0
   74    73    75    54   3.62500 -1.0 2.0
   75    65    67    68   3.62500 -1.0 2.0
   75    65   -67    69   3.62500 -1.0 2.0
   75    54    59    60   0.00000  1.0 1.0
   75    54    59    61   0.00000  1.0 1.0
   75    54    59    62   0.00000  1.0 1.0
   54    52    53    55   3.62500 -1.0 2.0
   54    52   -53    57   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47   0.56750  1.0 1.0
   39    33    37    47  -0.07550 -1.0 2.0
   39    33    37    47   0.20000  1.0 3.0
   39    33    37    50   0.62750  1.0 1.0
   39    33    37    50  -0.30950 -1.0 2.0
   39    33    37    50   0.27300  1.0 3.0
   39    33    43    44   0.62750  1.0 1.0
   39    33    43    44  -0.30950 -1.0 2.0
   39    33    43    44   0.27300  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    37    50   0.62750  1.0 1.0
   43    33    37    50  -0.30950 -1.0 2.0
   43    33    37    50   0.27300  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   52    66    51    47   4.00000 -1.0 2.0
   53    54    52    51   4.00000 -1.0 2.0
   55    57    53    52   4.00000 -1.0 2.0
   63    56    55    53   4.00000 -1.0 2.0
   66    64    63    55   1.10000 -1.0 2.0
   63    50    66    51   4.00000 -1.0 2.0
   53    65    57    58  10.50000 -1.0 2.0
   67    75    65    57   4.00000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    54    75    65   4.00000 -1.0 2.0
   59    52    54    75   1.00000 -1.0 2.0
END
