* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    230     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02062    90.02917   -69.13470
    3     1 S   H    _H1_     3     1.02093    90.56370    39.57840
    4     1 S   H    _H2_     4     1.02102    32.83726   164.72144
    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   _C21    36     1.83368    97.79093   -78.14643
   34    33 S   HC   _H3_    37     1.09686   106.65335    38.73436
   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   CM   _C8_    38     1.50536   108.36368   -80.00723
   39    38 S   HC   _H29    39     1.08896   117.41416   -62.74906
   40    33 S   CT   _C18    46     1.53470   110.98198   158.23070
   41    40 S   HC   _H44    47     1.09770   109.86492   -39.62686
   42    40 S   HC   _H45    48     1.09742   110.34984    78.89421
   43    38 S   CM   _C7_    40     1.34222   123.65214   116.43727
   44    43 S   HC   _H28    41     1.08732   119.56687     0.37168
   45    40 S   CO4  _C9_    49     1.51564   113.46317  -158.54786
   46    45 S   O    _O20    50     1.22273   125.15753  -119.11092
   47    43 S   CT   _C16    42     1.49217   123.84449  -179.61641
   48    47 S   HC   _H38    43     1.09442   109.88325   -90.00964
   49    47 S   HC   _H39    44     1.09406   112.29740   149.56829
   50    47 S   HC   _H40    45     1.09424   109.88094    29.08498
   51    45 S   OS   _O24    51     1.37292   109.60295    59.22987
   52    51 S   CT   _C13    52     1.41395   116.13610  -178.34554
   53    52 S   HC   _H35    53     1.11119   106.15204    30.03310
   54    52 S   CO4  _C6_    54     1.52303   112.91095   144.70169
   55    54 S   O    _O19    55     1.22561   123.07437  -163.69196
   56    52 S   CT   _C11    70     1.54088   111.28260   -88.02100
   57    56 S   HC   _H32    71     1.09709   109.39952  -178.00316
   58    56 S   HC   _H33    72     1.09835   107.70454    66.51581
   59    54 S   OS   _O21    56     1.36399   110.88951    19.91725
   60    59 S   CT   _C15    57     1.44517   118.13863   166.23638
   61    60 S   HC   _H37    58     1.09544   111.25230   -17.22794
   62    60 S   CT   _C14    59     1.54852   109.04821  -136.81221
   63    62 S   HC   _H36    60     1.10460   109.69317   -57.80376
   64    60 S   CT   _C19    77     1.52610   107.49161   101.35915
   65    64 S   HC   _H46    78     1.09452   108.87690    59.87229
   66    64 S   HC   _H47    79     1.09377   108.84559   176.73967
   67    62 S   CT   _C12    61     1.54900   114.82382    64.64327
   68    67 S   HC   _H34    62     1.09695   109.78382    65.83287
   69    62 S   OH   _O23    75     1.43151   108.82120  -174.66355
   70    69 S   HO   _H52    76     0.96779   106.17782   -65.01695
   71    64 S   CT   _C20    80     1.52471   111.24182   -61.66888
   72    71 S   HC   _H48    81     1.09662   110.03178   -60.00078
   73    71 S   HC   _H49    82     1.09600   110.01679    57.82923
   74    67 S   CM   _C5_    63     1.49917   112.71415   -58.86456
   75    74 S   HC   _H27    64     1.08828   116.97234   -63.89724
   76    67 S   OH   _O22    73     1.42858   108.96832  -177.63976
   77    76 S   HO   _H51    74     0.96844   106.34233  -177.76927
   78    71 S   CT   _C17    83     1.52045   111.27899   178.92918
   79    78 S   HC   _H41    84     1.09490   110.98557   -58.45378
   80    78 S   HC   _H42    85     1.09488   110.28353  -178.25348
   81    78 S   HC   _H43    86     1.09434   110.99927    62.08710
   82    74 S   CM   _C4_    65     1.34068   123.20056   108.14141
   83    82 S   HC   _H26    66     1.08726   119.69567     5.76082
   84    82 S   CT   _C10    67     1.50019   123.07006  -166.96272
   85    84 S   HC   _H30    68     1.09612   108.36915  -128.46540
   86    84 S   HC   _H31    69     1.09668   110.95499   -12.00195
  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
  12   7   2   1   1  11   4   7   4   3   5   4   6   2   3   2
   1   1   9  12   7  10   3   9   5   4  10  16   8  14   7  11
   5   4  10   6   3   1   6   5   4   8   4   2   1   3   2   1
   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    51  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    50    40    41    42    45  
   43    44    47    40  
   41    42    45    46    51    52    43  
   42    45    46    51  
   45    46    51  
   44    47    48    49    50  
   47    48    49    50  
   46    51    52    53    54    56  
   51    52  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    59    84    56    57    58  
   53    54    55    59    60    82    84    85    86    56    57    58  
   54    55    59    84    56    57    58  
   55    59    60    61    62    84    56    57    58    64  
   59    60    56  
   57    58    59    74    82    83    84    85    86  
   58    82    84    85    86  
   82    84    85    86  
   60    61    62    63    67    69    64    65    66    71  
   61    62    63    67    68    74    76    69    70    64    65    66    71    72    73    78  
   62    63    67    69    64    65    66    71  
   63    67    68    74    75    82    76    77    69    70    64    65    66    71  
   67    68    74    76    69    70    64  
   65    66    71    72    73    78    79    80    81    67    69  
   66    71    72    73    78  
   71    72    73    78  
   68    74    75    82    83    84    76    77    69    70  
   74    75    82    76    77    69  
   70    74    76  
    0  
   72    73    78    79    80    81  
   73    78    79    80    81  
   78    79    80    81  
   75    82    83    84    85    86    76    77  
   82    83    84    76  
   77    82  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.107500   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   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
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    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    51   214.000  1.327
   51    52   320.000  1.410
   52    53   340.000  1.090
   52    54   317.000  1.522
   52    56   268.000  1.529
   54    55   570.000  1.229
   54    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    67   268.000  1.529
   62    69   320.000  1.410
   67    68   340.000  1.090
   67    74   317.000  1.510
   67    76   320.000  1.410
   74    75   340.000  1.080
   74    82   549.000  1.340
   82    83   340.000  1.080
   82    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   76    77   553.000  0.945
   69    70   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    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    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    35.00000  117.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    51    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    51    52    83.00000  116.90000
   51    45    46    83.00000  123.40000
   51    52    53    35.00000  109.50000
   51    52    54    90.00000  108.74100
   51    52    56    50.00000  109.50000
   52    54    55    80.00000  120.40000
   52    54    59    81.00000  111.40000
   52    56    84    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   54    52    53    35.00000  109.50000
   54    59    60    83.00000  116.90000
   59    54    55    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    64    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    67    58.35000  112.70000
   60    62    69    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    71    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    74    70.00000  112.02700
   62    67    76    50.00000  109.50000
   62    69    70    55.00000  108.50000
   67    62    63    37.50000  110.70000
   67    74    75    35.00000  117.00000
   67    74    82    70.00000  124.00000
   67    76    77    55.00000  108.50000
   74    67    68    35.00000  109.50000
   74    82    83    35.00000  120.00000
   74    82    84    70.00000  124.00000
   82    74    75    35.00000  120.00000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    56    70.00000  112.02700
   84    82    83    35.00000  117.00000
   84    56    57    37.50000  110.70000
   84    56    58    37.50000  110.70000
   86    84    85    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    63.00000  111.10000
   56    84    85    37.50000  110.70000
   56    84    86    37.50000  110.70000
   58    56    57    33.00000  107.80000
   76    67    68    35.00000  109.50000
   76    67    74    90.00000  110.39200
   69    62    63    35.00000  109.50000
   69    62    67    50.00000  109.50000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    78    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    51   0.36750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    50   0.00000  1.0 1.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    50   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    51    52   1.63150  1.0 1.0
   40    45    51    52   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    51   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    51   0.00000  1.0 1.0
   45    51    52    53   0.08050  1.0 3.0
   45    51    52    54  -1.80650  1.0 1.0
   45    51    52    54   0.63900 -1.0 2.0
   45    51    52    54   0.03650  1.0 3.0
   45    51    52    56  -0.25900  1.0 1.0
   45    51    52    56  -0.47000 -1.0 2.0
   45    51    52    56   0.11750  1.0 3.0
   46    45    51    52   3.00000 -1.0 2.0
   51    52    54    55   0.30150 -1.0 2.0
   51    52    54    59   0.40000  1.0 3.0
   51    52    56    84   0.62750  1.0 1.0
   51    52    56    84  -0.30950 -1.0 2.0
   51    52    56    84   0.27300  1.0 3.0
   51    52    56    57   0.23400  1.0 3.0
   51    52    56    58   0.23400  1.0 3.0
   52    54    59    60   1.63150  1.0 1.0
   52    54    59    60   2.92000 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    59   0.00000  1.0 1.0
   53    52    56    84   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   54    52    56    84  -0.95700  1.0 1.0
   54    52    56    84  -0.18200 -1.0 2.0
   54    52    56    84   0.29450  1.0 3.0
   54    52    56    57  -0.11250  1.0 3.0
   54    52    56    58  -0.11250  1.0 3.0
   54    59    60    61   0.08050  1.0 3.0
   54    59    60    62  -0.25900  1.0 1.0
   54    59    60    62  -0.47000 -1.0 2.0
   54    59    60    62   0.11750  1.0 3.0
   54    59    60    64  -0.25900  1.0 1.0
   54    59    60    64  -0.47000 -1.0 2.0
   54    59    60    64   0.11750  1.0 3.0
   55    54    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    67   0.62750  1.0 1.0
   59    60    62    67  -0.30950 -1.0 2.0
   59    60    62    67   0.27300  1.0 3.0
   59    60    62    69   3.69350  1.0 1.0
   59    60    62    69  -1.82950 -1.0 2.0
   59    60    64    65   0.23400  1.0 3.0
   59    60    64    66   0.23400  1.0 3.0
   59    60    64    71   0.62750  1.0 1.0
   59    60    64    71  -0.30950 -1.0 2.0
   59    60    64    71   0.27300  1.0 3.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    74   0.34400  1.0 1.0
   60    62    67    74   0.09450 -1.0 2.0
   60    62    67    74   0.11100  1.0 3.0
   60    62    67    76   0.86500  1.0 1.0
   60    62    67    76  -0.17500 -1.0 2.0
   60    62    67    76   0.20800  1.0 3.0
   60    62    69    70  -0.11600  1.0 1.0
   60    62    69    70  -0.09450 -1.0 2.0
   60    62    69    70   0.21250  1.0 3.0
   60    64    71    72   0.15000  1.0 3.0
   60    64    71    73   0.15000  1.0 3.0
   60    64    71    78   0.56750  1.0 1.0
   60    64    71    78  -0.07550 -1.0 2.0
   60    64    71    78   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    67   0.15000  1.0 3.0
   61    60    62    69   0.23400  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    71   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    71   0.56750  1.0 1.0
   62    60    64    71  -0.07550 -1.0 2.0
   62    60    64    71   0.20000  1.0 3.0
   62    67    74    75   0.00000  1.0 1.0
   62    67    74    82   0.09850  1.0 1.0
   62    67    74    82   0.15250 -1.0 2.0
   62    67    74    82  -0.50650  1.0 3.0
   62    67    76    77  -0.11600  1.0 1.0
   62    67    76    77  -0.09450 -1.0 2.0
   62    67    76    77   0.21250  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    74   0.15000  1.0 3.0
   63    62    67    76   0.23400  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   67    62    69    70  -0.11600  1.0 1.0
   67    62    69    70  -0.09450 -1.0 2.0
   67    62    69    70   0.21250  1.0 3.0
   67    74    82    83   7.00000 -1.0 2.0
   67    74    82    84   7.00000 -1.0 2.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    82   0.00000  1.0 1.0
   68    67    76    77   0.19450  1.0 3.0
   74    67    76    77  -0.07800  1.0 1.0
   74    67    76    77  -0.21500 -1.0 2.0
   74    67    76    77  -0.03150  1.0 3.0
   74    82    84    85   0.00000  1.0 1.0
   74    82    84    86   0.00000  1.0 1.0
   74    82    84    56   0.09850  1.0 1.0
   74    82    84    56   0.15250 -1.0 2.0
   74    82    84    56  -0.50650  1.0 3.0
   75    74    82    83   7.00000 -1.0 2.0
   75    74    82    84   7.00000 -1.0 2.0
   82    84    56    52   0.34400  1.0 1.0
   82    84    56    52   0.09450 -1.0 2.0
   82    84    56    52   0.11100  1.0 3.0
   82    84    56    57   0.15000  1.0 3.0
   82    84    56    58   0.15000  1.0 3.0
   83    82    84    85   0.33100  1.0 3.0
   83    82    84    86   0.33100  1.0 3.0
   83    82    84    56   0.00000  1.0 1.0
   85    84    56    52   0.15000  1.0 3.0
   85    84    56    57   0.15000  1.0 3.0
   85    84    56    58   0.15000  1.0 3.0
   86    84    56    52   0.15000  1.0 3.0
   86    84    56    57   0.15000  1.0 3.0
   86    84    56    58   0.15000  1.0 3.0
   56    52    54    55   0.30150 -1.0 2.0
   56    52    54    59   0.36750  1.0 3.0
   76    67    74    75   0.00000  1.0 1.0
   76    67    74    82   0.67800  1.0 1.0
   76    67    74    82   0.47050 -1.0 2.0
   76    67    74    82  -0.62500  1.0 3.0
   69    62    67    68   0.23400  1.0 3.0
   69    62    67    74   1.05650  1.0 1.0
   69    62    67    74   0.15600 -1.0 2.0
   69    62    67    74   0.53150  1.0 3.0
   69    62    67    76   3.75450  1.0 1.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    67   0.56750  1.0 1.0
   64    60    62    67  -0.07550 -1.0 2.0
   64    60    62    67   0.20000  1.0 3.0
   64    60    62    69   0.86500  1.0 1.0
   64    60    62    69  -0.17500 -1.0 2.0
   64    60    62    69   0.20800  1.0 3.0
   64    71    78    79   0.15000  1.0 3.0
   64    71    78    80   0.15000  1.0 3.0
   64    71    78    81   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    78   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    78   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    81   0.15000  1.0 3.0
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
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   40    51    45    46  10.50000 -1.0 2.0
   52    59    54    55  10.50000 -1.0 2.0
   67    75    74    82   1.10000 -1.0 2.0
   84    83    82    74   1.10000 -1.0 2.0
END
