* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    145    228     434
    1     0 S   NP   _N1_     1    29.20021    96.91166   -22.18582
    2     1 S   H    _HN1     2     1.02786    99.58752   -95.09647
    3     1 S   H    _H1_     3     1.02950    69.95964    11.09583
    4     1 S   H    _H2_     4     1.02828    43.12600   158.90757
    5     1 S   CT   _CA1     5     1.50103   145.33263   108.26360
    6     5 S   HC   _HA1     6     1.09576   105.19491    93.62497
    7     5 S   CO3  _C1_     7     1.53776   112.52595   -26.61807
    8     7 S   O2Z  _O11     8     1.26375   114.99797   -41.31501
    9     7 S   O2Z  _O12     9     1.26233   114.93173   137.84901
   10     5 S   CT   _CB1    10     1.53075   107.43999  -148.35702
   11    10 S   HC   HB11    11     1.09834   109.36873   -49.69811
   12    10 S   HC   HB12    12     1.09814   110.45060    66.92206
   13    10 S   CT   _CG1    13     1.52967   112.59045  -170.67102
   14    13 S   HC   HG11    14     1.09586   110.65943   -66.42856
   15    13 S   HC   HG12    15     1.09680   109.78408    52.77842
   16    13 S   C    _CD1    16     1.51796   112.20658   173.35238
   17    16 S   O    _OE1    17     1.22710   123.34671     9.37352
   18    16 S   N    _N2_    18     1.38560   111.54506  -170.90048
   19    18 S   H    _HN2    19     1.01475   118.87034     2.16184
   20    18 S   CT1  _CA2    20     1.46212   123.65108   177.86137
   21    20 S   HC   _HA2    21     1.09707   109.46921     2.85129
   22    20 S   C    _C2_    22     1.53581   108.69767  -112.97166
   23    22 S   O    _O2_    23     1.23068   122.18048  -150.83606
   24    20 S   CT   _CB2    32     1.53298   111.18067   125.13213
   25    24 S   HC   HB21    33     1.09364   109.24895    57.93822
   26    24 S   HC   HB22    34     1.09520   110.60828   175.80306
   27    22 S   N    _N3_    24     1.38275   113.85052    36.38292
   28    27 S   H    _HN3    25     1.01577   119.55745    -2.87610
   29    24 S   S    _SG2    35     1.83210   111.33859   -65.33506
   30    27 S   CT   _CA3    26     1.45270   123.28500   177.64258
   31    30 S   HC   HA31    27     1.09543   107.50802   -65.70013
   32    30 S   HC   HA32    28     1.09558   108.01044    50.77673
   33    29 S   CT   _C13    36     1.87612   101.86499   138.00696
   34    30 S   CO3  _C3_    29     1.52968   114.01604   172.81198
   35    34 S   O2Z  _O31    30     1.26382   116.05511     1.01741
   36    34 S   O2Z  _O32    31     1.26421   114.41794  -178.92790
   37    33 S   CM   _C12    37     1.52232   106.44145   -65.88171
   38    37 S   HC   _H12    38     1.08927   114.83066   -59.25665
   39    33 S   CT   _C14    68     1.54044   107.89270    60.21235
   40    39 S   HC   _H13    69     1.09678   111.32095    58.72707
   41    39 S   HC   _H14    70     1.09502   112.83032   -62.22172
   42    39 S   HC   _H15    71     1.09483   111.83683   178.05841
   43    33 S   CT   _C15    72     1.54725   105.38230   177.58540
   44    43 S   HC   _H16    73     1.10076   109.64804    57.43338
   45    43 S   HC   _H17    74     1.10044   109.07074   -58.43749
   46    37 S   CM   _C11    39     1.34501   126.79483   121.64039
   47    46 S   HC   _H11    40     1.08565   117.32661     1.19796
   48    43 S   CO3  _C16    75     1.53739   120.55892   179.49294
   49    48 S   O2Z  _O34    76     1.25978   117.09945    -5.23604
   50    48 S   O2Z  _O33    77     1.26595   113.87589   174.88542
   51    46 S   CT   _C10    41     1.51758   126.60706  -179.60435
   52    51 S   CT   _C5_    42     1.54532   115.58249  -113.73248
   53    51 S   OH   _O35    66     1.43762   109.46911     8.34040
   54    53 S   HO   _H18    67     0.97095   108.57830    57.74576
   55    52 S   CT   _C6_    43     1.55245   110.93393   -54.15474
   56    55 S   HC   _H7_    44     1.09870   109.93054  -179.37756
   57    55 S   HC   _H8_    45     1.09763   110.53476    65.71282
   58    52 S   CT   _C17    53     1.53941    99.79382  -169.85799
   59    58 S   HC   _H19    54     1.09470   113.37784   154.03208
   60    58 S   HC   _H20    55     1.09582   112.48951   -83.22704
   61    52 S   CT   _C4_    62     1.52978   114.74738    70.92344
   62    61 S   HC   _H4_    63     1.09507   111.94103    55.68519
   63    61 S   HC   _H5_    64     1.09454   111.20587   -64.82730
   64    61 S   HC   _H6_    65     1.09576   110.82162   175.36316
   65    55 S   CT   _C7_    46     1.53368   113.38261   -58.36147
   66    65 S   HC   _H3_    47     1.09702   108.91957   -82.20966
   67    65 S   CT   _C8_    48     1.53180   113.31868    38.63539
   68    67 S   HC   _H9_    49     1.09660   110.84367    86.95439
   69    67 S   HC   _H10    50     1.09879   107.18244  -158.93713
   70    65 S   OH   _O37    60     1.42357   110.10044   161.07750
   71    70 S   HO   _H24    61     0.97252   107.54053    54.77610
   72    51 S   CT   _C9_    51     1.55259   116.10838   132.26069
   73    72 S   OS   _O36    52     1.45441   104.07232   167.46499
   74    72 S   CT   _C18    56     1.52672   115.05385   -74.02444
   75    74 S   HC   _H21    57     1.09503   111.62597   -60.15708
   76    74 S   HC   _H22    58     1.09619   110.63533  -177.50503
   77    74 S   HC   _H23    59     1.09394   111.54839    61.97277
  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  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   6   4   3  12   4   2
   1   1  23  19   8   1  18   7   6  11   4   3   6   2   1   1
   9   6  10   5   4   2   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    72    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    55    67    72    73    58    74    61    53    54  
   51    52    72    53  
   49    50  
   50  
    0  
   52    55    56    57    65    67    68    69    72    73    58    59    60    74    75    76    77    61    62    63    64    53    54  
   55    56    57    65    66    67    72    73    58    59    60    74    70    61    62    63    64    53    54  
   54    55    58    61    67    72    73    74  
   72  
   56    57    65    66    67    68    69    72    73    58    59    60    70    71    61    62    63    64  
   57    65    66    67    58    70    61  
   65    66    67    58    70    61  
   59    60    74    61    62    63    64    65    67    72    73  
   60    61    72    73  
   61    72    73  
   62    63    64    65    72    73  
   63    64  
   64  
    0  
   66    67    68    69    72    73    74    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    75    76    77    70    71  
   69    72    73    74    70  
   72    73    74    70  
   71    72  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   317.000  1.510
   51    52   268.000  1.529
   51    72   268.000  1.529
   51    53   320.000  1.410
   52    55   268.000  1.529
   52    58   268.000  1.529
   52    61   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   320.000  1.410
   72    74   268.000  1.529
   73    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   70    71   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    70.00000  109.69300
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  124.00000
   46    37    38    35.00000  120.00000
   46    51    52    70.00000  112.02700
   46    51    72    70.00000  112.02700
   46    51    53    90.00000  110.39200
   51    46    47    35.00000  117.00000
   51    52    55    58.35000  112.70000
   51    52    58    58.35000  112.70000
   51    52    61    58.35000  112.70000
   51    72    67    58.35000  112.70000
   51    72    73    50.00000  109.50000
   51    72    74    58.35000  112.70000
   51    53    54    55.00000  108.50000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    65    58.35000  112.70000
   52    58    73    50.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   55    65    66    37.50000  110.70000
   55    65    67    58.35000  112.70000
   55    65    70    50.00000  109.50000
   57    55    56    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    57    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    58.35000  112.70000
   65    70    71    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    72    73    50.00000  109.50000
   67    72    74    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    51    52    58.35000  112.70000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    73    58    60.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   73    58    59    35.00000  109.50000
   73    58    60    35.00000  109.50000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   74    72    73    50.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   61    52    55    58.35000  112.70000
   61    52    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    51    52    50.00000  109.50000
   53    51    72    50.00000  109.50000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    70.00000  117.00000
   43    48    50    70.00000  117.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.41150 -1.0 2.0
   33    43    48    50   0.41150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52   0.09850  1.0 1.0
   37    46    51    52   0.15250 -1.0 2.0
   37    46    51    52  -0.50650  1.0 3.0
   37    46    51    72   0.09850  1.0 1.0
   37    46    51    72   0.15250 -1.0 2.0
   37    46    51    72  -0.50650  1.0 3.0
   37    46    51    53   0.67800  1.0 1.0
   37    46    51    53   0.47050 -1.0 2.0
   37    46    51    53  -0.62500  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    52    55   0.34400  1.0 1.0
   46    51    52    55   0.09450 -1.0 2.0
   46    51    52    55   0.11100  1.0 3.0
   46    51    52    58   0.34400  1.0 1.0
   46    51    52    58   0.09450 -1.0 2.0
   46    51    52    58   0.11100  1.0 3.0
   46    51    52    61   0.34400  1.0 1.0
   46    51    52    61   0.09450 -1.0 2.0
   46    51    52    61   0.11100  1.0 3.0
   46    51    72    67   0.34400  1.0 1.0
   46    51    72    67   0.09450 -1.0 2.0
   46    51    72    67   0.11100  1.0 3.0
   46    51    72    73   0.61850  1.0 1.0
   46    51    72    73  -0.22750 -1.0 2.0
   46    51    72    73   0.15300  1.0 3.0
   46    51    72    74   0.34400  1.0 1.0
   46    51    72    74   0.09450 -1.0 2.0
   46    51    72    74   0.11100  1.0 3.0
   46    51    53    54  -0.07800  1.0 1.0
   46    51    53    54  -0.21500 -1.0 2.0
   46    51    53    54  -0.03150  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    72   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    52    55    56   0.15000  1.0 3.0
   51    52    55    57   0.15000  1.0 3.0
   51    52    55    65   0.56750  1.0 1.0
   51    52    55    65  -0.07550 -1.0 2.0
   51    52    55    65   0.20000  1.0 3.0
   51    52   -58    73   0.62750  1.0 1.0
   51    52   -58    73  -0.30950 -1.0 2.0
   51    52   -58    73   0.27300  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52    61    63   0.15000  1.0 3.0
   51    52    61    64   0.15000  1.0 3.0
   51    72   -73    58   0.06250  1.0 1.0
   51    72   -73    58  -0.01100 -1.0 2.0
   51    72   -73    58   0.28050  1.0 3.0
   51    72    74    75   0.15000  1.0 3.0
   51    72    74    76   0.15000  1.0 3.0
   51    72    74    77   0.15000  1.0 3.0
   52    51    72    67   0.56750  1.0 1.0
   52    51    72    67  -0.07550 -1.0 2.0
   52    51    72    67   0.20000  1.0 3.0
   52    51   -72    73   0.62750  1.0 1.0
   52    51   -72    73  -0.30950 -1.0 2.0
   52    51   -72    73   0.27300  1.0 3.0
   52    51    72    74   0.56750  1.0 1.0
   52    51    72    74  -0.07550 -1.0 2.0
   52    51    72    74   0.20000  1.0 3.0
   52    51    53    54  -0.11600  1.0 1.0
   52    51    53    54  -0.09450 -1.0 2.0
   52    51    53    54   0.21250  1.0 3.0
   52    55    65    66   0.15000  1.0 3.0
   52    55   -65    67   0.56750  1.0 1.0
   52    55   -65    67  -0.07550 -1.0 2.0
   52    55   -65    67   0.20000  1.0 3.0
   52    55    65    70   0.86500  1.0 1.0
   52    55    65    70  -0.17500 -1.0 2.0
   52    55    65    70   0.20800  1.0 3.0
   55    52    58    73   0.62750  1.0 1.0
   55    52    58    73  -0.30950 -1.0 2.0
   55    52    58    73   0.27300  1.0 3.0
   55    52    58    59   0.15000  1.0 3.0
   55    52    58    60   0.15000  1.0 3.0
   55    52    61    62   0.15000  1.0 3.0
   55    52    61    63   0.15000  1.0 3.0
   55    52    61    64   0.15000  1.0 3.0
   55    65    67    68   0.15000  1.0 3.0
   55    65    67    69   0.15000  1.0 3.0
   55    65    67    72   0.56750  1.0 1.0
   55    65    67    72  -0.07550 -1.0 2.0
   55    65    67    72   0.20000  1.0 3.0
   55    65    70    71  -0.11600  1.0 1.0
   55    65    70    71  -0.09450 -1.0 2.0
   55    65    70    71   0.21250  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    70   0.23400  1.0 3.0
   57    55    65    66   0.15000  1.0 3.0
   57    55    65    67   0.15000  1.0 3.0
   57    55    65    70   0.23400  1.0 3.0
   65    67   -72    51   0.56750  1.0 1.0
   65    67   -72    51  -0.07550 -1.0 2.0
   65    67   -72    51   0.20000  1.0 3.0
   65    67    72    73   0.62750  1.0 1.0
   65    67    72    73  -0.30950 -1.0 2.0
   65    67    72    73   0.27300  1.0 3.0
   65    67    72    74   0.56750  1.0 1.0
   65    67    72    74  -0.07550 -1.0 2.0
   65    67    72    74   0.20000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71  -0.11600  1.0 1.0
   67    65    70    71  -0.09450 -1.0 2.0
   67    65    70    71   0.21250  1.0 3.0
   67    72    73    58   0.06250  1.0 1.0
   67    72    73    58  -0.01100 -1.0 2.0
   67    72    73    58   0.28050  1.0 3.0
   67    72    74    75   0.15000  1.0 3.0
   67    72    74    76   0.15000  1.0 3.0
   67    72    74    77   0.15000  1.0 3.0
   68    67    72    51   0.15000  1.0 3.0
   68    67    72    73   0.23400  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   69    67    72    51   0.15000  1.0 3.0
   69    67    72    73   0.23400  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   72    51   -52    55   0.56750  1.0 1.0
   72    51   -52    55  -0.07550 -1.0 2.0
   72    51   -52    55   0.20000  1.0 3.0
   72    51   -52    58   0.56750  1.0 1.0
   72    51   -52    58  -0.07550 -1.0 2.0
   72    51   -52    58   0.20000  1.0 3.0
   72    51    52    61   0.56750  1.0 1.0
   72    51    52    61  -0.07550 -1.0 2.0
   72    51    52    61   0.20000  1.0 3.0
   72    51    53    54  -0.11600  1.0 1.0
   72    51    53    54  -0.09450 -1.0 2.0
   72    51    53    54   0.21250  1.0 3.0
   72    73   -58    52   0.06250  1.0 1.0
   72    73   -58    52  -0.01100 -1.0 2.0
   72    73   -58    52   0.28050  1.0 3.0
   72    73    58    59   0.37050  1.0 3.0
   72    73    58    60   0.37050  1.0 3.0
   73    72    74    75   0.23400  1.0 3.0
   73    72    74    76   0.23400  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    65   0.56750  1.0 1.0
   58    52    55    65  -0.07550 -1.0 2.0
   58    52    55    65   0.20000  1.0 3.0
   58    52    61    62   0.15000  1.0 3.0
   58    52    61    63   0.15000  1.0 3.0
   58    52    61    64   0.15000  1.0 3.0
   74    72    73    58   0.06250  1.0 1.0
   74    72    73    58  -0.01100 -1.0 2.0
   74    72    73    58   0.28050  1.0 3.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    72   0.86500  1.0 1.0
   70    65    67    72  -0.17500 -1.0 2.0
   70    65    67    72   0.20800  1.0 3.0
   61    52    55    56   0.15000  1.0 3.0
   61    52    55    57   0.15000  1.0 3.0
   61    52    55    65   0.56750  1.0 1.0
   61    52    55    65  -0.07550 -1.0 2.0
   61    52    55    65   0.20000  1.0 3.0
   61    52    58    73   0.62750  1.0 1.0
   61    52    58    73  -0.30950 -1.0 2.0
   61    52    58    73   0.27300  1.0 3.0
   61    52    58    59   0.15000  1.0 3.0
   61    52    58    60   0.15000  1.0 3.0
   53    51    52    55   0.86500  1.0 1.0
   53    51    52    55  -0.17500 -1.0 2.0
   53    51    52    55   0.20800  1.0 3.0
   53    51    52    58   0.86500  1.0 1.0
   53    51    52    58  -0.17500 -1.0 2.0
   53    51    52    58   0.20800  1.0 3.0
   53    51    52    61   0.86500  1.0 1.0
   53    51    52    61  -0.17500 -1.0 2.0
   53    51    52    61   0.20800  1.0 3.0
   53    51    72    67   0.86500  1.0 1.0
   53    51    72    67  -0.17500 -1.0 2.0
   53    51    72    67   0.20800  1.0 3.0
   53    51    72    73   3.69350  1.0 1.0
   53    51    72    73  -1.82950 -1.0 2.0
   53    51    72    74   0.86500  1.0 1.0
   53    51    72    74  -0.17500 -1.0 2.0
   53    51    72    74   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -1.63150  1.0 1.0
   39    33    43    48  -0.43550 -1.0 2.0
   39    33    43    48   0.24500  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   49    43    48    50  10.50000 -1.0 2.0
END
