* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    219     427
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02136    82.47138   -80.40340
    3     1 S   H    _H1_     3     1.02061    97.02928    27.61036
    4     1 S   H    _H2_     4     1.02087    34.78724   140.52622
    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     1.08575   109.89770   179.12800
   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   _C17    36     1.82655    97.88653  -158.15042
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C6_    37     1.51754   110.89889   179.94766
   38    37 S   O    _O19    38     1.23126   122.68117   -14.24282
   39    33 S   OS   _O22    76     1.42438   109.90000    62.77630
   40    37 S   CM   _C4_    39     1.50711   117.60698   167.43470
   41    39 S   CT   _C21    77     1.42090   111.50979    60.01994
   42    41 S   HC   _H44    78     1.09229   109.49524  -179.98022
   43    41 S   HC   _H45    79     1.09298   109.51980    59.22698
   44    41 S   HC   _H46    80     1.09280   109.03068   -60.37953
   45    40 S   CM   _C5_    40     1.35089   120.46449   -20.53753
   46    45 S   CO4  _C7_    41     1.50759   119.83864     3.91837
   47    46 S   O    _O20    42     1.23099   121.27318   168.19218
   48    45 S   CT   _C16    50     1.53605   122.42104  -175.59540
   49    33 S   CT   _C15    43     1.51981   110.58688   -57.60764
   50    49 S   HC   _H34    44     1.07411   112.36085    64.23465
   51    48 S   CT   _C13    51     1.54855   111.01099    16.95498
   52    51 S   HC   _H31    52     1.09818   110.57307  -169.67229
   53    51 S   HC   _H32    53     1.10078   110.56823    73.24525
   54    48 S   CM   _C10    67     1.51367   112.14403   134.34957
   55    54 S   HC   _H28    68     1.08602   117.17839   119.99693
   56    48 S   CT   _C19    72     1.54302   109.25602  -104.58747
   57    56 S   HC   _H38    73     1.08363   109.05455  -179.97202
   58    56 S   HC   _H39    74     1.08379   109.05125    60.00489
   59    56 S   HC   _H40    75     1.08327   109.05200   -59.97892
   60    49 S   OS   _O21    45     1.42004   111.85389   -57.05480
   61    51 S   CT   _C12    54     1.52011   112.01506   -47.66522
   62    61 S   HC   _H29    55     1.09827   109.23924  -179.31586
   63    61 S   HC   _H30    56     1.09690   109.52949   -63.74609
   64    54 S   CM   _C8_    69     1.33810   124.03073   -59.95407
   65    64 S   HC   _H24    70     1.08450   120.45399  -180.00000
   66    64 S   HC   _H25    71     1.08422   121.53661    -0.03426
   67    60 S   CT   _C20    46     1.42279   111.60199   159.04027
   68    67 S   HC   _H41    47     1.09258   109.51081   180.00000
   69    67 S   HC   _H42    48     1.09284   109.48775    59.25307
   70    67 S   HC   _H43    49     1.09191   109.02239   -60.36825
   71    40 S   CT   _C14    57     1.52254   116.10241   161.33573
   72    71 S   HC   _H33    58     1.09946   106.84239    67.71377
   73    71 S   CM   _C11    59     1.50464   112.73328   -50.70041
   74    73 S   CM   _C9_    60     1.34162   121.91591   117.74963
   75    74 S   HC   _H26    61     1.08518   121.35732   179.98022
   76    74 S   HC   _H27    62     1.08491   121.36545    -0.03426
   77    73 S   CT   _C18    63     1.50006   116.18731   -62.30536
   78    77 S   HC   _H35    64     1.09482   110.32286   -89.96266
   79    77 S   HC   _H36    65     1.09568   110.24127    29.87201
   80    77 S   HC   _H37    66     1.09513   112.17842   149.93309
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  14   5   9  16   4   2   1   1  20  10   4  17
   6   2  15   7   6   9   4   5   2   1   1   4   7   4   3   2
   1   1   3   2   1   1   9   3   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    46    49    50    60    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    46    47    49    50    60    67    71    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    49    50    60    48    61    71    72    73    39    41  
   40    45    49    71    39  
   41    42    43    44    40    46    49    50    60  
   45    46    47    49    48    51    61    62    63    71    72    73    74    77    54    56  
   42    43    44    49  
   43    44  
   44  
    0  
   46    47    49    50    60    48    51    52    53    61    71    72    73    54    55    64    56    57    58    59  
   47    49    50    60    67    48    51    71    54    56  
   49    50    60    48  
   51    52    53    61    62    63    71    54    55    64    65    66    56    57    58    59    49  
   50    60    67    68    69    70  
   60    67  
   52    53    61    62    63    71    72    73    54    55    64    56    57    58    59  
   53    61    62    63    71    54    56  
   61    62    63    71    54    56  
   55    64    65    66    56    57    58    59    61  
   64    65    66    56  
   57    58    59    61    64  
   58    59  
   59  
    0  
   67    68    69    70  
   62    63    71    72    73    74    77  
   63    71    72    73  
   71    72    73  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    77  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.316400   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   0.396900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    49   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    71   317.000  1.510
   45    46   320.000  1.462
   45    48   317.000  1.510
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    60   320.000  1.410
   60    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   48    51   268.000  1.529
   48    54   317.000  1.510
   48    56   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    71   268.000  1.529
   71    72   340.000  1.090
   71    73   317.000  1.510
   73    74   549.000  1.340
   73    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   54    55   340.000  1.080
   54    64   549.000  1.340
   64    65   340.000  1.080
   64    66   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    49    46    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    60    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    71    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    46    65.00000  118.96000
   40    45    48    70.00000  124.00000
   40    71    61    70.00000  112.02700
   40    71    72    35.00000  109.50000
   40    71    73    70.00000  110.12100
   45    46    47    80.00000  123.72100
   45    46    49    65.00000  118.62400
   45    48    51    70.00000  112.02700
   45    48    54    70.00000  110.12100
   45    48    56    70.00000  112.02700
   46    49    50    35.00000  109.50000
   46    49    60    90.00000  108.74100
   49    33    37    63.00000  111.10000
   49    46    47    80.00000  120.40000
   49    60    67    60.00000  109.50000
   60    49    50    35.00000  109.50000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   48    45    46    65.00000  116.34900
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    61    58.35000  112.70000
   48    54    55    35.00000  117.00000
   48    54    64    70.00000  124.00000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    59    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    71    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    71    72    37.50000  110.70000
   61    71    73    70.00000  112.02700
   63    61    62    33.00000  107.80000
   71    40    45    70.00000  124.00000
   71    61    62    37.50000  110.70000
   71    61    63    37.50000  110.70000
   71    73    74    70.00000  124.00000
   71    73    77    65.00000  117.92700
   73    71    72    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    76    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    73    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   54    48    51    70.00000  112.02700
   54    64    65    35.00000  120.00000
   54    64    66    35.00000  120.00000
   64    54    55    35.00000  120.00000
   66    64    65    35.00000  117.00000
   56    48    51    58.35000  112.70000
   56    48    54    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    49    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    60   0.56750  1.0 1.0
   29    33    49    60  -0.07550 -1.0 2.0
   29    33    49    60   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    71   0.25700  1.0 1.0
   33    37    40    71   0.66200 -1.0 2.0
   33    37    40    71   0.04450  1.0 3.0
   33    49    60    67   0.06250  1.0 1.0
   33    49    60    67  -0.01100 -1.0 2.0
   33    49    60    67   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    49    46   0.11950  1.0 1.0
   37    33    49    46   0.20300 -1.0 2.0
   37    33    49    46  -0.70800  1.0 3.0
   37    33    49    50  -0.11250  1.0 3.0
   37    33    49    60  -0.09450  1.0 1.0
   37    33    49    60  -1.12950 -1.0 2.0
   37    33    49    60   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    46   7.00000 -1.0 2.0
   37    40    45    48   7.00000 -1.0 2.0
   37    40    71    61   0.09700  1.0 1.0
   37    40    71    61   0.15600 -1.0 2.0
   37    40    71    61  -0.50800  1.0 3.0
   37    40    71    72   0.15000  1.0 3.0
   37    40    71    73   0.09700  1.0 1.0
   37    40    71    73   0.15600 -1.0 2.0
   37    40    71    73  -0.50800  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    71  -0.64400  1.0 1.0
   38    37    40    71   0.26850 -1.0 2.0
   40    45    46    47   1.00000 -1.0 2.0
   40    45    46    49  -0.33500  1.0 1.0
   40    45    46    49   1.06600 -1.0 2.0
   40    45    46    49  -0.14000  1.0 3.0
   40    45    48    51   0.09850  1.0 1.0
   40    45    48    51   0.15250 -1.0 2.0
   40    45    48    51  -0.50650  1.0 3.0
   40    45    48    54  -0.28300  1.0 1.0
   40    45    48    54   0.26700 -1.0 2.0
   40    45    48    54  -0.63300  1.0 3.0
   40    45    48    56   0.09850  1.0 1.0
   40    45    48    56   0.15250 -1.0 2.0
   40    45    48    56  -0.50650  1.0 3.0
   40    71    73    74  -0.28300  1.0 1.0
   40    71    73    74   0.26700 -1.0 2.0
   40    71    73    74  -0.63300  1.0 3.0
   40    71    73    77   0.09700  1.0 1.0
   40    71    73    77   0.15600 -1.0 2.0
   40    71    73    77  -0.50800  1.0 3.0
   45    40    71    61   0.09850  1.0 1.0
   45    40    71    61   0.15250 -1.0 2.0
   45    40    71    61  -0.50650  1.0 3.0
   45    40    71    72   0.00000  1.0 1.0
   45    40    71    73  -0.28300  1.0 1.0
   45    40    71    73   0.26700 -1.0 2.0
   45    40    71    73  -0.63300  1.0 3.0
   45    46   -49    33   0.65300  1.0 1.0
   45    46   -49    33  -0.03850 -1.0 2.0
   45    46   -49    33   0.33900  1.0 3.0
   45    46    49    50   0.00000  1.0 1.0
   45    46    49    60   0.65300  1.0 1.0
   45    46    49    60  -0.03850 -1.0 2.0
   45    46    49    60   0.33900  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48   -51    61   0.34400  1.0 1.0
   45    48   -51    61   0.09450 -1.0 2.0
   45    48   -51    61   0.11100  1.0 3.0
   45    48    54    55   0.00000  1.0 1.0
   45    48    54    64  -0.28300  1.0 1.0
   45    48    54    64   0.26700 -1.0 2.0
   45    48    54    64  -0.63300  1.0 3.0
   45    48    56    57   0.15000  1.0 3.0
   45    48    56    58   0.15000  1.0 3.0
   45    48    56    59   0.15000  1.0 3.0
   46    45    48    51   0.09700  1.0 1.0
   46    45    48    51   0.15600 -1.0 2.0
   46    45    48    51  -0.50800  1.0 3.0
   46    45    48    54   0.09700  1.0 1.0
   46    45    48    54   0.15600 -1.0 2.0
   46    45    48    54  -0.50800  1.0 3.0
   46    45    48    56   0.09700  1.0 1.0
   46    45    48    56   0.15600 -1.0 2.0
   46    45    48    56  -0.50800  1.0 3.0
   46    49    60    67  -1.11000  1.0 1.0
   46    49    60    67   0.50250 -1.0 2.0
   46    49    60    67   0.47450  1.0 3.0
   47    46    49    33   0.30150 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    60   0.30150 -1.0 2.0
   49    33    37    38   0.30150 -1.0 2.0
   49    33   -37    40   0.65300  1.0 1.0
   49    33   -37    40  -0.03850 -1.0 2.0
   49    33   -37    40   0.33900  1.0 3.0
   49    33    39    41   0.06250  1.0 1.0
   49    33    39    41  -0.01100 -1.0 2.0
   49    33    39    41   0.28050  1.0 3.0
   49    60    67    68   0.37050  1.0 3.0
   49    60    67    69   0.37050  1.0 3.0
   49    60    67    70   0.37050  1.0 3.0
   50    49    60    67   0.37050  1.0 3.0
   48    45    46    47  -0.64400  1.0 1.0
   48    45    46    47   0.26850 -1.0 2.0
   48    45    46    49   0.25700  1.0 1.0
   48    45    46    49   0.66200 -1.0 2.0
   48    45    46    49   0.04450  1.0 3.0
   48    51    61    62   0.15000  1.0 3.0
   48    51    61    63   0.15000  1.0 3.0
   48    51    61    71   0.56750  1.0 1.0
   48    51    61    71  -0.07550 -1.0 2.0
   48    51    61    71   0.20000  1.0 3.0
   48    54    64    65   7.00000 -1.0 2.0
   48    54    64    66   7.00000 -1.0 2.0
   51    48    54    55   0.00000  1.0 1.0
   51    48    54    64   0.09850  1.0 1.0
   51    48    54    64   0.15250 -1.0 2.0
   51    48    54    64  -0.50650  1.0 3.0
   51    48    56    57   0.15000  1.0 3.0
   51    48    56    58   0.15000  1.0 3.0
   51    48    56    59   0.15000  1.0 3.0
   51    61   -71    40   0.34400  1.0 1.0
   51    61   -71    40   0.09450 -1.0 2.0
   51    61   -71    40   0.11100  1.0 3.0
   51    61    71    72   0.15000  1.0 3.0
   51    61    71    73   0.34400  1.0 1.0
   51    61    71    73   0.09450 -1.0 2.0
   51    61    71    73   0.11100  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    71   0.15000  1.0 3.0
   53    51    61    62   0.15000  1.0 3.0
   53    51    61    63   0.15000  1.0 3.0
   53    51    61    71   0.15000  1.0 3.0
   61    71    73    74   0.09850  1.0 1.0
   61    71    73    74   0.15250 -1.0 2.0
   61    71    73    74  -0.50650  1.0 3.0
   61    71    73    77   0.46850  1.0 1.0
   61    71    73    77   0.08550 -1.0 2.0
   61    71    73    77   0.09800  1.0 3.0
   62    61    71    40   0.15000  1.0 3.0
   62    61    71    72   0.15000  1.0 3.0
   62    61    71    73   0.15000  1.0 3.0
   63    61    71    40   0.15000  1.0 3.0
   63    61    71    72   0.15000  1.0 3.0
   63    61    71    73   0.15000  1.0 3.0
   71    40    45    46   7.00000 -1.0 2.0
   71    40   -45    48   7.00000 -1.0 2.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    76   7.00000 -1.0 2.0
   71    73    77    78   0.34800  1.0 3.0
   71    73    77    79   0.34800  1.0 3.0
   71    73    77    80   0.34800  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    77   0.34800  1.0 3.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   77    73    74    75   7.00000 -1.0 2.0
   77    73    74    76   7.00000 -1.0 2.0
   54    48    51    52   0.15000  1.0 3.0
   54    48    51    53   0.15000  1.0 3.0
   54    48    51    61   0.34400  1.0 1.0
   54    48    51    61   0.09450 -1.0 2.0
   54    48    51    61   0.11100  1.0 3.0
   54    48    56    57   0.15000  1.0 3.0
   54    48    56    58   0.15000  1.0 3.0
   54    48    56    59   0.15000  1.0 3.0
   55    54    64    65   7.00000 -1.0 2.0
   55    54    64    66   7.00000 -1.0 2.0
   56    48    51    52   0.15000  1.0 3.0
   56    48    51    53   0.15000  1.0 3.0
   56    48    51    61   0.56750  1.0 1.0
   56    48    51    61  -0.07550 -1.0 2.0
   56    48    51    61   0.20000  1.0 3.0
   56    48    54    55   0.00000  1.0 1.0
   56    48    54    64   0.09850  1.0 1.0
   56    48    54    64   0.15250 -1.0 2.0
   56    48    54    64  -0.50650  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    49    46  -0.09450  1.0 1.0
   39    33    49    46  -1.12950 -1.0 2.0
   39    33    49    46   0.54000  1.0 3.0
   39    33    49    50   0.23400  1.0 3.0
   39    33    49    60   1.11900  1.0 1.0
   39    33    49    60  -1.16350 -1.0 2.0
   39    33    49    60  -0.34150  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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    71    40    45   1.10000 -1.0 2.0
   46    48    45    40   1.10000 -1.0 2.0
   45    49    46    47  10.50000 -1.0 2.0
   71    77    73    74  15.00000 -1.0 2.0
   75    76    74    73  15.00000 -1.0 2.0
   48    55    54    64  15.00000 -1.0 2.0
   65    66    64    54  15.00000 -1.0 2.0
END
