* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    156    250     468
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.01991    92.02067    37.05143
    3     1 S   H    _H1_     3     1.02107    32.98353   159.31101
    4     1 S   H    _H2_     4     1.02073    88.45038   -71.61935
    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   _C24    36     1.83293    97.81431   161.86056
   34    33 S   HC   _H3_    37     1.09711   105.78358    37.39099
   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   _C8_    38     1.51811   110.51074   -79.99976
   39    33 S   CT   _C22    50     1.53857   108.80254   153.14505
   40    39 S   HC   _H44    51     1.09633   111.12275    44.35523
   41    39 S   HC   _H45    52     1.09726   110.18636   163.45713
   42    38 S   CA   _C4_    39     1.39504   119.99665   -64.39721
   43    42 S   HA   _H34    40     1.08712   120.46073     0.01978
   44    39 S   CO4  _C16    53     1.52164   112.71605   -78.07905
   45    44 S   O    _O24    54     1.22992   123.20904    31.86623
   46    42 S   CA   _C6_    41     1.39438   120.03121   180.00000
   47    46 S   HA   _H36    42     1.08600   119.66605  -179.92598
   48    44 S   CM   _C11    55     1.47225   116.84704  -146.27691
   49    46 S   CA   _C9_    43     1.39544   119.97002    -0.00000
   50    48 S   CM   _C13    56     1.34188   118.55892   120.00213
   51    49 S   CA   _C7_    44     1.39504   119.99873     0.00000
   52    51 S   HA   _H37    45     1.08656   120.30771  -180.00000
   53    49 S   OH   _O26    48     1.36118   119.97803  -179.91844
   54    53 S   HO   _H49    49     0.97060   110.27069    -0.05234
   55    50 S   CO4  _C15    57     1.48774   120.93733  -179.98022
   56    55 S   O    _O23    58     1.22682   121.09493  -179.88297
   57    50 S   OS1  _O34    66     1.32448   122.26315     0.06853
   58    38 S   CA   _C5_    46     1.39465   120.02823   115.59898
   59    58 S   HA   _H35    47     1.08700   120.47827     0.05935
   60    55 S   CM   _C12    59     1.48101   117.89388     0.09065
   61    57 S   CO1  _C21    67     1.42672   114.82205   -90.07465
   62    61 S   HC   _H43    68     1.09771   107.37374    60.04768
   63    60 S   CM   _C10    60     1.33387   120.84285    -0.04846
   64    63 S   HC   _H38    61     1.08443   121.12094   179.93439
   65    60 S   OH   _O27    64     1.37877   118.41584   179.89165
   66    65 S   HO   _H50    65     0.96277   109.87626     0.01978
   67    61 S   CT   _C19    69     1.52814   107.86292   179.61083
   68    67 S   HC   _H41    70     1.09754   110.68521    51.39479
   69    48 S   CO4  _C14    62     1.48557   120.60725   -59.94340
   70    69 S   O    _O22    63     1.22683   121.84964    -0.04423
   71    67 S   CT   _C17    71     1.52836   111.38000   173.97344
   72    71 S   HC   _H39    72     1.09748   110.89958    74.80024
   73    67 S   OH5  _O30    87     1.42759   109.51814   -66.22891
   74    73 S   HO   _H53    88     0.96894   106.40802   -61.63163
   75    71 S   CT   _C18    73     1.52877   111.19165   -48.53940
   76    75 S   HC   _H40    74     1.09709   108.93320   -72.64212
   77    71 S   OH5  _O28    85     1.42870   109.20778  -168.21789
   78    77 S   HO   _H51    86     0.96805   106.35850    61.32240
   79    75 S   CT   _C20    75     1.53014   110.80587    49.55949
   80    79 S   HC   _H42    76     1.09769   110.52513    64.80135
   81    75 S   OH5  _O29    83     1.42627   108.06447   170.63498
   82    81 S   HO   _H52    84     0.97059   106.48460   -59.99758
   83    61 S   OS1  _O25    77     1.42499   109.84963   -59.82104
   84    79 S   CT   _C23    78     1.52577   112.27198  -175.05878
   85    84 S   HC   _H46    79     1.08980   109.96126    59.92781
   86    84 S   HC   _H47    80     1.09041   109.93732   -60.95391
   87    84 S   OH5  _O33    81     1.41561   108.58399   179.52646
   88    87 S   HO   _H54    82     0.97232   107.03856   179.98022
  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   9   4   3   8   4   8   3   7   3  10
   6  12   5   3   2   1   9   4  10   1   1   6  13   6   5   3
   2   1  12   7   1   1  13   7   4   1  12   7   3   1   9   6
   3   1   4   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    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    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    51    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    51    52    58    59    39    40    41    44  
   40    41    44    45    48    50    69    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    51    58    59    53  
   46    47    49    58  
   45    48    50    55    63    69    70    57  
   48    50    69  
   47    49    51    52    58    53    54  
   49    51    53  
   50    55    56    60    63    64    69    70    57    61  
   51    52    58    59    53    54  
   55    56    60    63    69    70    65    57    61    62    67    83  
   52    58    59    53    54  
   58    59    53  
   54    58  
    0  
   56    60    63    64    69    65    66    57    61  
   60    63    65    57  
   61    62    67    68    71    79    83    73    60    69  
   59  
    0  
   63    64    69    70    65    66  
   62    67    68    71    72    75    79    80    83    84    77    73    74  
   67    68    71    79    83    73  
   64    69    70    65    66  
   69    70    65  
   66    69  
    0  
   68    71    72    75    76    79    83    81    77    78    73    74  
   71    72    75    83    77    73    74  
   70  
    0  
   72    75    76    79    80    83    84    81    82    77    78    73    74  
   75    76    79    81    77    78    73  
   74    75    77    83  
    0  
   76    79    80    83    84    85    86    87    81    82    77    78  
   79    80    83    84    81    82    77  
   78    79    81  
    0  
   80    83    84    85    86    87    88    81    82  
   83    84    85    86    87    81  
   82    83    84  
    0  
   84    85    86    87  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.0700   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   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    58   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    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   51    58   469.000  1.400
   58    59   367.000  1.080
   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   320.000  1.462
   48    50   549.000  1.340
   48    69   320.000  1.462
   50    55   320.000  1.462
   50    57   440.000  1.360
   55    56   570.000  1.229
   55    60   320.000  1.462
   60    63   549.000  1.340
   60    65   510.000  1.338
   63    64   340.000  1.080
   63    69   320.000  1.462
   69    70   570.000  1.229
   65    66   553.000  0.945
   57    61   370.000  1.399
   61    62   360.000  1.097
   61    67   255.000  1.525
   61    83   370.000  1.399
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   355.000  1.421
   79    80   340.000  1.090
   79    83   335.000  1.422
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   355.000  1.421
   87    88   580.000  0.967
   81    82   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
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    58    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    58    51    63.00000  120.00000
   38    58    59    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    51    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    58    63.00000  120.00000
   49    53    54    35.00000  113.00000
   51    58    59    35.00000  120.00000
   58    38    42    63.00000  120.00000
   58    51    52    35.00000  120.00000
   53    49    51    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    65.00000  118.62400
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    65.00000  118.96000
   44    48    69    65.00000  115.30000
   48    44    45    80.00000  123.72100
   48    50    55    65.00000  118.96000
   48    50    57    80.00000  120.01400
   48    69    63    65.00000  118.65900
   48    69    70    80.00000  123.72100
   50    55    56    80.00000  123.72100
   50    55    60    65.00000  118.65900
   50    57    61    90.00000  111.18400
   55    60    63    65.00000  118.96000
   55    60    65    85.00000  116.28000
   60    55    56    80.00000  123.72100
   60    63    64    35.00000  120.00000
   60    63    69    65.00000  118.96000
   60    65    66    70.00000  107.45700
   63    69    70    80.00000  123.72100
   69    48    50    65.00000  118.96000
   69    63    64    40.00000  117.72500
   65    60    63    80.00000  121.38400
   57    50    55    85.00000  116.28000
   57    61    62    60.00000  105.75400
   57    61    67    90.00000  109.70700
   57    61    83   110.00000  113.16000
   61    67    68    45.00000  109.54000
   61    67    71    70.00000  111.10000
   61    67    73    90.00000  109.42000
   61    83    79    90.00000  112.10700
   67    61    62    45.00000  111.65000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    90.00000  111.45300
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    58.35000  112.70000
   71    75    81    90.00000  111.45300
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    83    95.00000  107.88500
   75    79    84    58.35000  112.70000
   75    81    82    65.00000  108.53500
   79    75    76    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    90.00000  111.45300
   83    61    62    60.00000  105.75400
   83    61    67    90.00000  109.70700
   83    79    80    55.00000  108.98800
   84    79    80    37.50000  110.70000
   84    79    83    95.00000  107.88500
   84    87    88    65.00000  108.53500
   86    84    85    33.00000  107.80000
   87    84    85    60.00000  109.39000
   87    84    86    60.00000  109.39000
   81    75    76    60.00000  109.39000
   81    75    79    90.00000  111.45300
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
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    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   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    58    51   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.65300  1.0 1.0
   33    39    44    48  -0.03850 -1.0 2.0
   33    39    44    48   0.33900  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   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    58    51   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    51   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    51    52   3.62500 -1.0 2.0
   46    49    51    58   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    51   -58    38   3.62500 -1.0 2.0
   49    51    58    59   3.62500 -1.0 2.0
   51    49    53    54   0.84100 -1.0 2.0
   52    51    58    38   3.62500 -1.0 2.0
   52    51    58    59   3.62500 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    49    51    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50  -0.33500  1.0 1.0
   39    44    48    50   1.06600 -1.0 2.0
   39    44    48    50  -0.14000  1.0 3.0
   39    44    48    69   1.50000 -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    55   7.00000 -1.0 2.0
   44    48    50    57   7.00000 -1.0 2.0
   44    48    69    63   1.50000 -1.0 2.0
   44    48    69    70   2.50000 -1.0 2.0
   45    44    48    50   1.00000 -1.0 2.0
   45    44    48    69   2.50000 -1.0 2.0
   48    50    55    56   1.00000 -1.0 2.0
   48    50    55    60  -1.18350  1.0 1.0
   48    50    55    60   1.45950 -1.0 2.0
   48    50    57    61  -2.26850  1.0 1.0
   48    50    57    61   3.39050 -1.0 2.0
   50    48    69    63  -1.18350  1.0 1.0
   50    48    69    63   1.45950 -1.0 2.0
   50    48    69    70   1.00000 -1.0 2.0
   50    55   -60    63  -1.18350  1.0 1.0
   50    55   -60    63   1.45950 -1.0 2.0
   50    55    60    65   1.50000 -1.0 2.0
   50    57    61    62   0.08050  1.0 3.0
   50    57    61    67  -0.46850  1.0 1.0
   50    57    61    67   0.09300 -1.0 2.0
   50    57    61    67  -0.12850  1.0 3.0
   50    57    61    83  -0.48150  1.0 1.0
   50    57    61    83   0.09250 -1.0 2.0
   50    57    61    83  -0.12850  1.0 3.0
   55    50    57    61   0.15100 -1.0 2.0
   55    60    63    64   7.00000 -1.0 2.0
   55    60    63    69   7.00000 -1.0 2.0
   55    60    65    66   2.00000 -1.0 2.0
   56    55    60    63   1.00000 -1.0 2.0
   56    55    60    65  -0.11900  1.0 1.0
   56    55    60    65   0.76850 -1.0 2.0
   56    55    60    65   0.14100  1.0 3.0
   60    63   -69    48  -1.18350  1.0 1.0
   60    63   -69    48   1.45950 -1.0 2.0
   60    63    69    70   1.00000 -1.0 2.0
   63    60    65    66  -0.66100  1.0 1.0
   63    60    65    66   1.20850 -1.0 2.0
   63    60    65    66  -0.36000  1.0 3.0
   64    63    69    48   0.93700 -1.0 2.0
   64    63    69    70   0.00000  1.0 1.0
   69    48   -50    55   7.00000 -1.0 2.0
   69    48    50    57   7.00000 -1.0 2.0
   65    60    63    64   7.00000 -1.0 2.0
   65    60    63    69   7.00000 -1.0 2.0
   57    50    55    56  -0.11900  1.0 1.0
   57    50    55    56   0.76850 -1.0 2.0
   57    50    55    56   0.14100  1.0 3.0
   57    50    55    60   1.50000 -1.0 2.0
   57    61    67    68   0.23400  1.0 3.0
   57    61    67    71   0.62750  1.0 1.0
   57    61    67    71  -0.30950 -1.0 2.0
   57    61    67    71   0.27300  1.0 3.0
   57    61    67    73   1.51850  1.0 1.0
   57    61    83    79  -0.70400  1.0 1.0
   57    61    83    79  -0.90350 -1.0 2.0
   61    67    71    72   0.15000  1.0 3.0
   61    67    71    75   0.56750  1.0 1.0
   61    67    71    75  -0.07550 -1.0 2.0
   61    67    71    75   0.20000  1.0 3.0
   61    67    71    77  -0.47750  1.0 1.0
   61    67    73    74   0.29150  1.0 1.0
   61    67    73    74  -0.28350 -1.0 2.0
   61    67    73    74   0.43600  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    71   0.15000  1.0 3.0
   62    61    67    73   0.23400  1.0 3.0
   62    61    83    79   0.37050  1.0 3.0
   67    61    83    79   0.06250  1.0 1.0
   67    61    83    79  -0.01100 -1.0 2.0
   67    61    83    79   0.28050  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71   -75    79   0.56750  1.0 1.0
   67    71   -75    79  -0.07550 -1.0 2.0
   67    71   -75    79   0.20000  1.0 3.0
   67    71    75    81  -0.47750  1.0 1.0
   67    71    77    78   0.29150  1.0 1.0
   67    71    77    78  -0.28350 -1.0 2.0
   67    71    77    78   0.43600  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    75    79    80   0.15000  1.0 3.0
   71    75    79    83   0.62750  1.0 1.0
   71    75    79    83  -0.30950 -1.0 2.0
   71    75    79    83   0.27300  1.0 3.0
   71    75    79    84   0.56750  1.0 1.0
   71    75    79    84  -0.07550 -1.0 2.0
   71    75    79    84   0.20000  1.0 3.0
   71    75    81    82   0.29150  1.0 1.0
   71    75    81    82  -0.28350 -1.0 2.0
   71    75    81    82   0.43600  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.15000  1.0 3.0
   72    71    75    81   0.23400  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    79   -83    61   0.06250  1.0 1.0
   75    79   -83    61  -0.01100 -1.0 2.0
   75    79   -83    61   0.28050  1.0 3.0
   75    79    84    85   0.15000  1.0 3.0
   75    79    84    86   0.15000  1.0 3.0
   75    79    84    87  -0.47750  1.0 1.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    83   0.23400  1.0 3.0
   76    75    79    84   0.15000  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   79    75    81    82   0.29150  1.0 1.0
   79    75    81    82  -0.28350 -1.0 2.0
   79    75    81    82   0.43600  1.0 3.0
   79    84    87    88   0.29150  1.0 1.0
   79    84    87    88  -0.28350 -1.0 2.0
   79    84    87    88   0.43600  1.0 3.0
   80    79    83    61   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.23400  1.0 3.0
   83    61    67    68   0.23400  1.0 3.0
   83    61   -67    71   0.62750  1.0 1.0
   83    61   -67    71  -0.30950 -1.0 2.0
   83    61   -67    71   0.27300  1.0 3.0
   83    61    67    73   1.51850  1.0 1.0
   83    79    84    85   0.23400  1.0 3.0
   83    79    84    86   0.23400  1.0 3.0
   83    79    84    87   1.51850  1.0 1.0
   84    79    83    61   0.06250  1.0 1.0
   84    79    83    61  -0.01100 -1.0 2.0
   84    79    83    61   0.28050  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   1.51850  1.0 1.0
   81    75    79    84  -0.47750  1.0 1.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79  -0.47750  1.0 1.0
   77    71    75    81   3.77950  1.0 1.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75  -0.47750  1.0 1.0
   73    67    71    77   3.77950  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    58    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
   51    53    49    46   4.00000 -1.0 2.0
   58    52    51    49   1.10000 -1.0 2.0
   51    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   44    69    48    50   1.10000 -1.0 2.0
   55    57    50    48   1.10000 -1.0 2.0
   50    60    55    56  10.50000 -1.0 2.0
   55    65    60    63   1.10000 -1.0 2.0
   69    64    63    60   1.10000 -1.0 2.0
   48    63    69    70  10.50000 -1.0 2.0
END
