* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    138    210     411
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093    36.77143   130.70551
    3     1 S   H    _H1_     3     1.02110    78.88290   -85.34836
    4     1 S   H    _H2_     4     1.02039    99.41628    22.00208
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C15    36     1.83185    97.83354   161.83900
   34    33 S   HC   _H3_    37     1.09726   105.49926    37.30239
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C7_    38     1.51682   110.74530   -80.05038
   39    33 S   CT   _C14    54     1.53609   109.43242   153.13610
   40    39 S   HC   _H35    55     1.09655   112.22559    64.79290
   41    39 S   HC   _H36    56     1.09821   111.37639   -53.96959
   42    38 S   CA   _C4_    39     1.39490   119.96153   115.40093
   43    42 S   HA   _H29    40     1.08691   120.53744    -0.04846
   44    39 S   CO4  _C10    57     1.51177   111.85736  -174.02148
   45    44 S   O    _O17    58     1.22402   123.72564    56.24284
   46    42 S   CA   _C5_    41     1.39488   119.99592   179.89721
   47    46 S   HA   _H30    42     1.08683   119.63273   179.97202
   48    44 S   OS   _O27    59     1.36891   110.51508  -123.88258
   49    46 S   CA   _C8_    43     1.39498   120.00157     0.02798
   50    48 S   CT   _C17    60     1.41900   115.92000  -179.90721
   51    50 S   HC   _H39    61     1.09754   107.15156    30.00023
   52    49 S   CA   _C9_    44     1.39475   119.99685    -0.04846
   53    49 S   OH   _O20    52     1.36231   119.45655   179.97202
   54    53 S   HO   _H42    53     0.97072   110.19138     0.00000
   55    50 S   C    _C12    62     1.51622   108.12843   145.63127
   56    55 S   O    _O19    63     1.22318   125.37817     4.62220
   57    50 S   CT   _C19    66     1.53568   109.60539   -89.63614
   58    57 S   HC   _H41    67     1.09637   109.30709    38.72782
   59    38 S   CA   _C6_    45     1.39479   120.03824   -64.74857
   60    59 S   HA   _H31    46     1.08744   120.12533     0.09279
   61    52 S   OS   _O26    47     1.36255   120.54550   179.96574
   62    55 S   OH   _O22    64     1.35627   111.08828  -173.81715
   63    62 S   HO   _H44    65     0.98143   111.88330   178.46201
   64    57 S   CT   _C18    68     1.54090   116.56828   -85.81717
   65    64 S   HC   _H40    69     1.09722   109.30206   -50.39011
   66    57 S   OH   _O25    80     1.43486   107.10671   152.93822
   67    66 S   HO   _H47    81     0.96684   106.00707   -60.08912
   68    61 S   CT   _C13    48     1.42637   117.00914  -179.95577
   69    68 S   HC   _H32    49     1.09260   109.47518   180.00000
   70    68 S   HC   _H33    50     1.09275   109.56078    59.23018
   71    68 S   HC   _H34    51     1.09277   108.95414   -60.43971
   72    64 S   CT   _C16    70     1.53390   116.99126  -175.45778
   73    72 S   HC   _H38    71     1.09193   112.79978    58.31945
   74    64 S   OH   _O24    78     1.43741   106.74506    62.56020
   75    74 S   HO   _H46    79     0.96614   105.84361  -172.99403
   76    72 S   C    _C11    72     1.51852   113.70801  -174.99132
   77    76 S   O    _O18    73     1.22456   124.66810   112.05816
   78    72 S   OH   _O23    76     1.42988   107.11181   -58.32075
   79    78 S   HO   _H45    77     0.96852   106.33434   -61.61914
   80    76 S   OH   _O21    74     1.35613   112.67834   -68.50972
   81    80 S   HO   _H43    75     0.97983   115.13724  -179.37193
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3   9
   7  13   7   9   3   1   7   3  12   6   3   1   4   1   1  12
   7   3   1   3   2   1   1   9   6   3   1   5   3   2   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    59    60    61    39    40    41    44  
   40    41    44    45    48    50    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    59    60    53  
   46    47    49    59  
   45    48    50    51    55    57  
   48    50  
   47    49    52    59    61    53    54  
   49    52    53  
   50    51    55    56    62    57    58    64    66  
   52    59    60    61    68    53    54  
   51    55    56    62    63    57    58    64    65    72    74    66    67  
   55    56    62    57    58    64    66  
   59    60    61    68    69    70    71    53    54  
   54    59    61  
    0  
   56    62    63    57    58    64    66  
   62    63    57  
   58    64    65    72    73    76    78    74    75    66    67    62  
   64    65    72    74    66    67  
   60    61    68  
   61  
   68    69    70    71  
   63  
    0  
   65    72    73    76    77    80    78    79    74    75    66    67  
   72    73    76    78    74    75    66  
   67    72    74  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    80    81    78    79    74    75  
   76    77    80    78    79    74  
   75    76    78  
    0  
   77    80    81    78    79  
   80    81    78  
   79    80  
    0  
   81  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    59   469.000  1.400
   52    61   450.000  1.364
   59    60   367.000  1.080
   61    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   317.000  1.522
   50    57   268.000  1.529
   55    56   570.000  1.229
   55    62   450.000  1.364
   62    63   553.000  0.945
   57    58   340.000  1.090
   57    64   268.000  1.529
   57    66   320.000  1.410
   64    65   340.000  1.090
   64    72   268.000  1.529
   64    74   320.000  1.410
   72    73   340.000  1.090
   72    76   317.000  1.522
   72    78   320.000  1.410
   76    77   570.000  1.229
   76    80   450.000  1.364
   80    81   553.000  0.945
   78    79   553.000  0.945
   74    75   553.000  0.945
   66    67   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    52    63.00000  120.00000
   38    59    60    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    59    63.00000  120.00000
   49    52    61    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    59    60    35.00000  120.00000
   52    61    68    75.00000  111.00000
   59    38    42    63.00000  120.00000
   61    52    59    70.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    90.00000  108.55600
   48    50    57    50.00000  109.50000
   50    55    56    80.00000  120.40000
   50    55    62    70.00000  108.00000
   50    57    58    37.50000  110.70000
   50    57    64    58.35000  112.70000
   50    57    66    50.00000  109.50000
   55    50    51    35.00000  109.50000
   55    62    63    35.00000  113.00000
   62    55    56   100.00000  123.32000
   57    50    51    37.50000  110.70000
   57    50    55    63.00000  111.10000
   57    64    65    37.50000  110.70000
   57    64    72    58.35000  112.70000
   57    64    74    50.00000  109.50000
   57    66    67    55.00000  108.50000
   64    57    58    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    76    63.00000  111.10000
   64    72    78    50.00000  109.50000
   64    74    75    55.00000  108.50000
   72    64    65    37.50000  110.70000
   72    76    77    80.00000  120.40000
   72    76    80    70.00000  108.00000
   72    78    79    55.00000  108.50000
   76    72    73    35.00000  109.50000
   76    80    81    35.00000  113.00000
   80    76    77   100.00000  123.32000
   78    72    73    35.00000  109.50000
   78    72    76    95.00000  109.52300
   74    64    65    35.00000  109.50000
   74    64    72    50.00000  109.50000
   66    57    58    35.00000  109.50000
   66    57    64    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    52   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    59    52   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    52    61   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -59    38   3.62500 -1.0 2.0
   49    52    59    60   3.62500 -1.0 2.0
   49    52    61    68   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    61    68    69   0.08050  1.0 3.0
   52    61    68    70   0.08050  1.0 3.0
   52    61    68    71   0.08050  1.0 3.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   59    52    61    68   1.63200 -1.0 2.0
   61    52    59    38   3.62500 -1.0 2.0
   61    52    59    60   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   53    49    52    61   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -1.80650  1.0 1.0
   44    48    50    55   0.63900 -1.0 2.0
   44    48    50    55   0.03650  1.0 3.0
   44    48    50    57  -0.25900  1.0 1.0
   44    48    50    57  -0.47000 -1.0 2.0
   44    48    50    57   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.30150 -1.0 2.0
   48    50    55    62   0.40000  1.0 3.0
   48    50    57    58   0.23400  1.0 3.0
   48    50    57    64   0.62750  1.0 1.0
   48    50    57    64  -0.30950 -1.0 2.0
   48    50    57    64   0.27300  1.0 3.0
   48    50    57    66   3.69350  1.0 1.0
   48    50    57    66  -1.82950 -1.0 2.0
   50    55    62    63   1.50000  1.0 1.0
   50    55    62    63   2.45000 -1.0 2.0
   50    57    64    65   0.15000  1.0 3.0
   50    57    64    72   0.56750  1.0 1.0
   50    57    64    72  -0.07550 -1.0 2.0
   50    57    64    72   0.20000  1.0 3.0
   50    57    64    74   0.86500  1.0 1.0
   50    57    64    74  -0.17500 -1.0 2.0
   50    57    64    74   0.20800  1.0 3.0
   50    57    66    67  -0.11600  1.0 1.0
   50    57    66    67  -0.09450 -1.0 2.0
   50    57    66    67   0.21250  1.0 3.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    62   0.00000  1.0 1.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    64   0.15000  1.0 3.0
   51    50    57    66   0.23400  1.0 3.0
   55    50    57    58  -0.11250  1.0 3.0
   55    50    57    64  -0.95700  1.0 1.0
   55    50    57    64  -0.18200 -1.0 2.0
   55    50    57    64   0.29450  1.0 3.0
   55    50    57    66  -0.09450  1.0 1.0
   55    50    57    66  -1.12950 -1.0 2.0
   55    50    57    66   0.54000  1.0 3.0
   56    55    62    63   0.92200  1.0 1.0
   56    55    62    63   3.74100 -1.0 2.0
   57    50    55    56   0.30150 -1.0 2.0
   57    50    55    62   0.50000  1.0 1.0
   57    50    55    62   0.27300 -1.0 2.0
   57    50    55    62   0.22500  1.0 3.0
   57    64    72    73   0.15000  1.0 3.0
   57    64    72    76  -0.95700  1.0 1.0
   57    64    72    76  -0.18200 -1.0 2.0
   57    64    72    76   0.29450  1.0 3.0
   57    64    72    78   0.86500  1.0 1.0
   57    64    72    78  -0.17500 -1.0 2.0
   57    64    72    78   0.20800  1.0 3.0
   57    64    74    75  -0.11600  1.0 1.0
   57    64    74    75  -0.09450 -1.0 2.0
   57    64    74    75   0.21250  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    72   0.15000  1.0 3.0
   58    57    64    74   0.23400  1.0 3.0
   58    57    66    67   0.19450  1.0 3.0
   64    57    66    67  -0.11600  1.0 1.0
   64    57    66    67  -0.09450 -1.0 2.0
   64    57    66    67   0.21250  1.0 3.0
   64    72    76    77   0.30150 -1.0 2.0
   64    72    76    80   0.50000  1.0 1.0
   64    72    76    80   0.27300 -1.0 2.0
   64    72    76    80   0.22500  1.0 3.0
   64    72    78    79  -0.11600  1.0 1.0
   64    72    78    79  -0.09450 -1.0 2.0
   64    72    78    79   0.21250  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    76  -0.11250  1.0 3.0
   65    64    72    78   0.23400  1.0 3.0
   65    64    74    75   0.19450  1.0 3.0
   72    64    74    75  -0.11600  1.0 1.0
   72    64    74    75  -0.09450 -1.0 2.0
   72    64    74    75   0.21250  1.0 3.0
   72    76    80    81   1.50000  1.0 1.0
   72    76    80    81   2.45000 -1.0 2.0
   73    72    76    77   0.00000  1.0 1.0
   73    72    76    80   0.00000  1.0 1.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.91850  1.0 1.0
   76    72    78    79   0.57950  1.0 3.0
   77    76    80    81   0.92200  1.0 1.0
   77    76    80    81   3.74100 -1.0 2.0
   78    72    76    77   0.30150 -1.0 2.0
   78    72    76    80   2.24650  1.0 1.0
   78    72    76    80   0.70300 -1.0 2.0
   78    72    76    80   0.26850  1.0 3.0
   74    64    72    73   0.23400  1.0 3.0
   74    64    72    76  -0.09450  1.0 1.0
   74    64    72    76  -1.12950 -1.0 2.0
   74    64    72    76   0.54000  1.0 3.0
   74    64    72    78   3.75450  1.0 1.0
   66    57    64    65   0.23400  1.0 3.0
   66    57    64    72   0.86500  1.0 1.0
   66    57    64    72  -0.17500 -1.0 2.0
   66    57    64    72   0.20800  1.0 3.0
   66    57    64    74   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   59    61    52    49   4.00000 -1.0 2.0
   52    60    59    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    62    55    56  10.50000 -1.0 2.0
   72    80    76    77  10.50000 -1.0 2.0
END
