* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    152    242     459
    1     0 S   NP   _N1_     1    28.78385    93.87214   -21.15373
    2     1 S   H    _HN1     2     1.02963    91.49251    47.47306
    3     1 S   H    _H1_     3     1.02843    26.38641   174.25352
    4     1 S   H    _H2_     4     1.02769    93.44081   -61.03341
    5     1 S   CT   _CA1     5     1.50101   137.02421   170.42533
    6     5 S   HC   _HA1     6     1.09591   105.17378    58.81167
    7     5 S   CO3  _C1_     7     1.53775   112.32761   -61.15544
    8     7 S   O2Z  _O11     8     1.26319   115.04205   -47.32105
    9     7 S   O2Z  _O12     9     1.26244   114.88912   131.95361
   10     5 S   CT   _CB1    10     1.53151   107.65891   176.38388
   11    10 S   HC   HB11    11     1.09801   109.21861   -53.14616
   12    10 S   HC   HB12    12     1.09683   110.57451    63.43907
   13    10 S   CT   _CG1    13     1.53014   112.59939  -174.63630
   14    13 S   HC   HG11    14     1.09608   110.13457   -64.55680
   15    13 S   HC   HG12    15     1.09643   110.15466    54.48854
   16    13 S   C    _CD1    16     1.51819   112.48407   174.53657
   17    16 S   O    _OE1    17     1.22736   123.21631   -13.13643
   18    16 S   N    _N2_    18     1.38671   111.67350   168.09449
   19    18 S   H    _HN2    19     1.01598   119.03726    -0.73462
   20    18 S   CT1  _CA2    20     1.46115   123.39700   179.21516
   21    20 S   HC   _HA2    21     1.09557   108.96831   -17.40135
   22    20 S   C    _C2_    22     1.53460   108.38124  -132.34212
   23    22 S   O    _O2_    23     1.23010   122.26483  -146.66830
   24    20 S   CT   _CB2    32     1.53501   111.92480   105.31225
   25    24 S   HC   HB21    33     1.09650   109.57818    58.29211
   26    24 S   HC   HB22    34     1.09562   111.05948   175.77256
   27    22 S   N    _N3_    24     1.38525   113.32638    40.92458
   28    27 S   H    _HN3    25     1.01524   118.92421    -0.71710
   29    24 S   S    _SG2    35     1.82826   114.48035   -61.60181
   30    27 S   CT   _CA3    26     1.45439   123.37664   174.55094
   31    30 S   HC   HA31    27     1.09528   109.12053    26.46540
   32    30 S   HC   HA32    28     1.09489   107.14757   143.50882
   33    29 S   CT   _C18    36     1.82374    99.58004   -72.05505
   34    33 S   HC   _H3_    37     1.09577   107.89595   -64.07217
   35    33 S   HC   _H4_    38     1.09390   109.90274    52.79597
   36    30 S   CO3  _C3_    29     1.52958   113.23064   -96.88288
   37    36 S   O2Z  _O31    30     1.26396   115.49991   -41.10150
   38    36 S   O2Z  _O32    31     1.26366   114.91022   139.81409
   39    33 S   CT   _C8_    39     1.53265   111.30286   175.10887
   40    39 S   HC   _H28    40     1.09597   111.12279    54.96971
   41    39 S   CO4  _C4_    41     1.50377   108.00484   173.94660
   42    41 S   O    _O16    42     1.22161   125.41921   -75.70512
   43    41 S   OS   _O17    43     1.36151   110.19727   102.10204
   44    43 S   CT   _C12    44     1.44131   110.78533     1.21418
   45    44 S   HC   _H32    45     1.09636   106.88031  -100.13703
   46    44 S   CT   _C7_    46     1.52735   106.66853   142.29643
   47    46 S   HC   _H26    47     1.09947   108.09889    59.69575
   48    46 S   HC   _H27    48     1.09644   109.65381   -51.37757
   49    39 S   CT   _C10    65     1.53517   114.39688   -72.82761
   50    49 S   HC   _H30    66     1.09267   110.08166    29.56337
   51    46 S   CT   _C11    49     1.53531   116.50038  -176.72822
   52    51 S   HC   _H31    50     1.09867   106.32867   168.21389
   53    51 S   CT   _C9_    51     1.55633   115.44448    48.20533
   54    53 S   HC   _H29    52     1.09736   106.83010   -80.76645
   55    51 S   CT   _C16    75     1.53963   108.90440   -77.41001
   56    55 S   HC   _H35    76     1.09474   111.40914    70.05002
   57    55 S   HC   _H36    77     1.09558   110.89937   -50.14560
   58    55 S   HC   _H37    78     1.09336   111.74467  -168.98009
   59    53 S   CT   _C5_    53     1.54592   110.44727   166.08278
   60    59 S   HC   _H22    54     1.09695   109.90126   -58.49634
   61    59 S   HC   _H23    55     1.09528   111.42142    58.06082
   62    59 S   CO   _C13    56     1.52585   111.87057   179.16491
   63    62 S   HC   _H33    57     1.09397   110.24853   -67.37801
   64    62 S   OS   _O18    58     1.42051   111.79540    53.60712
   65    62 S   OH   _O19    73     1.42473   109.58057   176.24292
   66    65 S   HO   _H43    74     0.97170   107.54905   -46.07371
   67    64 S   CO   _C14    59     1.42835   112.96798   -59.47745
   68    67 S   HC   _H34    60     1.09685   106.60361  -178.57880
   69    53 S   CT   _C15    61     1.57214   116.42464    39.49125
   70    67 S   OH   _O20    71     1.42546   111.50846   -62.00427
   71    70 S   HO   _H44    72     0.97216   106.85326   -78.96181
   72    69 S   CT   _C6_    62     1.57025   114.16457   -61.39903
   73    72 S   HC   _H24    63     1.09854   108.51306  -140.18041
   74    72 S   HC   _H25    64     1.09819   110.28335   106.63506
   75    69 S   CT   _C17    67     1.55094   111.29660    61.06233
   76    75 S   HC   _H38    68     1.09408   112.63401    60.35929
   77    75 S   HC   _H39    69     1.09347   111.97205   -60.70204
   78    75 S   HC   _H40    70     1.09664   110.57135   179.84051
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
   9   4  15   8  23   9   5   2   1   1  11   6   5   8   4   9
   2   1  11   5   9   3   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    72    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    69    72    73    74    49    50  
   41    42    43    44    72    49    50  
   42    43    44    45    46    72    49    50  
   43    44    49  
   44    45    46    47    48    51    72    49    50  
   45    46    47    48    51    52    53    69    72    73    74    49    50    55  
   46    47    48    51    72    49    50  
   47    48    51    52    53    54    59    69    72    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    75    51    53    67    69    72    73    74  
   69    72    73    74  
   52    53    54    59    60    61    62    67    69    72    75    55    56    57    58  
   53    54    59    69    55    56    57    58  
   54    59    60    61    62    63    64    67    68    69    72    73    74    75    76    77    78    70    65    55    56    57    58  
   59    60    61    62    67    69    72    75    55  
   56    57    58    59    69  
   57    58  
   58  
    0  
   60    61    62    63    64    67    69    72    75    65    66  
   61    62    63    64    69    65  
   62    63    64    69    65  
   63    64    67    68    69    70    65    66  
   64    67    65    66  
   67    68    69    72    75    70    71    65    66  
   66    67  
    0  
   68    69    72    73    74    75    76    77    78    70    71  
   69    72    75    70    71  
   72    73    74    75    76    77    78    70    71  
   71    72    75  
    0  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.1200   0.1700  -0.582700   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   78   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    69   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   250.000  1.527
   62    63   340.000  1.090
   62    64   320.000  1.380
   62    65   380.000  1.407
   64    67   320.000  1.380
   67    68   340.000  1.090
   67    69   250.000  1.527
   67    70   380.000  1.407
   69    72   268.000  1.529
   69    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    49   268.000  1.529
   49    50   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   70    71   553.000  0.945
   65    66   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    72    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    72    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    58.35000  112.70000
   51    53    69    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    75.00000  109.43000
   53    69    67    75.00000  109.43000
   53    69    72    58.35000  112.70000
   53    69    75    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    62    63    45.00000  112.01100
   59    62    64    90.00000  108.56700
   59    62    65    90.00000  110.19100
   61    59    60    33.00000  107.80000
   62    59    60    45.00000  108.72000
   62    59    61    45.00000  108.72000
   62    64    67   100.00000  109.58800
   62    65    66    70.00000  107.92000
   64    62    63    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    69    90.00000  108.56700
   64    67    70   110.00000  112.08000
   67    69    72    75.00000  109.43000
   67    69    75    75.00000  109.43000
   67    70    71    70.00000  107.92000
   69    53    54    37.50000  110.70000
   69    53    59    58.35000  112.70000
   69    67    68    45.00000  112.01100
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    49    58.35000  112.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   72    49    50    37.50000  110.70000
   74    72    73    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    37.50000  110.70000
   75    69    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   70    67    68    60.00000  108.02500
   70    67    69    90.00000  110.19100
   65    62    63    60.00000  108.02500
   65    62    64   110.00000  112.08000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    72   0.56750  1.0 1.0
   33    39    49    72  -0.07550 -1.0 2.0
   33    39    49    72   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    72   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    72  -0.95700  1.0 1.0
   41    39    49    72  -0.18200 -1.0 2.0
   41    39    49    72   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    72   0.62750  1.0 1.0
   43    44    49    72  -0.30950 -1.0 2.0
   43    44    49    72   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    72   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    72   0.56750  1.0 1.0
   46    44    49    72  -0.07550 -1.0 2.0
   46    44    49    72   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.56750  1.0 1.0
   46    51    53    59  -0.07550 -1.0 2.0
   46    51    53    59   0.20000  1.0 3.0
   46    51    53    69   0.56750  1.0 1.0
   46    51    53    69  -0.07550 -1.0 2.0
   46    51    53    69   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.15000  1.0 3.0
   51    53    59    61   0.15000  1.0 3.0
   51    53    59    62   3.97050  1.0 1.0
   51    53    69    67   3.97050  1.0 1.0
   51    53    69    72   0.56750  1.0 1.0
   51    53    69    72  -0.07550 -1.0 2.0
   51    53    69    72   0.20000  1.0 3.0
   51    53    69    75   0.56750  1.0 1.0
   51    53    69    75  -0.07550 -1.0 2.0
   51    53    69    75   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    69   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    62    63   0.15000  1.0 3.0
   53    59    62    64   0.62750  1.0 1.0
   53    59    62    64  -0.30950 -1.0 2.0
   53    59    62    64   0.27300  1.0 3.0
   53    59    62    65   0.86500  1.0 1.0
   53    59    62    65  -0.17500 -1.0 2.0
   53    59    62    65   0.20800  1.0 3.0
   53    69    72    73   0.15000  1.0 3.0
   53    69    72    74   0.15000  1.0 3.0
   53    69    72    49   0.56750  1.0 1.0
   53    69    72    49  -0.07550 -1.0 2.0
   53    69    72    49   0.20000  1.0 3.0
   53    69    75    76   0.15000  1.0 3.0
   53    69    75    77   0.15000  1.0 3.0
   53    69    75    78   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    53    69    67   0.15000  1.0 3.0
   54    53    69    72   0.15000  1.0 3.0
   54    53    69    75   0.15000  1.0 3.0
   59    53    69    67   3.97050  1.0 1.0
   59    53    69    72   0.56750  1.0 1.0
   59    53    69    72  -0.07550 -1.0 2.0
   59    53    69    72   0.20000  1.0 3.0
   59    53    69    75   0.56750  1.0 1.0
   59    53    69    75  -0.07550 -1.0 2.0
   59    53    69    75   0.20000  1.0 3.0
   59    62   -64    67   0.06250  1.0 1.0
   59    62   -64    67  -0.01100 -1.0 2.0
   59    62   -64    67   0.28050  1.0 3.0
   59    62    65    66  -0.11600  1.0 1.0
   59    62    65    66  -0.09450 -1.0 2.0
   59    62    65    66   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.23400  1.0 3.0
   60    59    62    65   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.23400  1.0 3.0
   61    59    62    65   0.23400  1.0 3.0
   62    64    67    68   0.37050  1.0 3.0
   62    64    67    69   0.06250  1.0 1.0
   62    64    67    69  -0.01100 -1.0 2.0
   62    64    67    69   0.28050  1.0 3.0
   62    64    67    70  -0.81800  1.0 1.0
   63    62    64    67   0.37050  1.0 3.0
   63    62    65    66   0.19450  1.0 3.0
   64    62    65    66  -0.50000  1.0 1.0
   64    62    65    66  -0.73950 -1.0 2.0
   64    62    65    66   0.17150  1.0 3.0
   64    67   -69    53   0.62750  1.0 1.0
   64    67   -69    53  -0.30950 -1.0 2.0
   64    67   -69    53   0.27300  1.0 3.0
   64    67    69    72   0.62750  1.0 1.0
   64    67    69    72  -0.30950 -1.0 2.0
   64    67    69    72   0.27300  1.0 3.0
   64    67    69    75   0.62750  1.0 1.0
   64    67    69    75  -0.30950 -1.0 2.0
   64    67    69    75   0.27300  1.0 3.0
   64    67    70    71  -0.50000  1.0 1.0
   64    67    70    71  -0.73950 -1.0 2.0
   64    67    70    71   0.17150  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69    72    74   0.15000  1.0 3.0
   67    69    72    49   3.97050  1.0 1.0
   67    69    75    76   0.15000  1.0 3.0
   67    69    75    77   0.15000  1.0 3.0
   67    69    75    78   0.15000  1.0 3.0
   68    67    69    53   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    69    75   0.15000  1.0 3.0
   68    67    70    71   0.19450  1.0 3.0
   69    53    59    60   0.15000  1.0 3.0
   69    53    59    61   0.15000  1.0 3.0
   69    53   -59    62   3.97050  1.0 1.0
   69    67    70    71  -0.11600  1.0 1.0
   69    67    70    71  -0.09450 -1.0 2.0
   69    67    70    71   0.21250  1.0 3.0
   69    72    49    39   0.56750  1.0 1.0
   69    72    49    39  -0.07550 -1.0 2.0
   69    72    49    39   0.20000  1.0 3.0
   69    72    49    44   0.56750  1.0 1.0
   69    72    49    44  -0.07550 -1.0 2.0
   69    72    49    44   0.20000  1.0 3.0
   69    72    49    50   0.15000  1.0 3.0
   72    69    75    76   0.15000  1.0 3.0
   72    69    75    77   0.15000  1.0 3.0
   72    69    75    78   0.15000  1.0 3.0
   73    72    49    39   0.15000  1.0 3.0
   73    72    49    44   0.15000  1.0 3.0
   73    72    49    50   0.15000  1.0 3.0
   74    72    49    39   0.15000  1.0 3.0
   74    72    49    44   0.15000  1.0 3.0
   74    72    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   75    69    72    73   0.15000  1.0 3.0
   75    69    72    74   0.15000  1.0 3.0
   75    69    72    49   0.56750  1.0 1.0
   75    69    72    49  -0.07550 -1.0 2.0
   75    69    72    49   0.20000  1.0 3.0
   70    67    69    53   0.86500  1.0 1.0
   70    67    69    53  -0.17500 -1.0 2.0
   70    67    69    53   0.20800  1.0 3.0
   70    67    69    72   0.86500  1.0 1.0
   70    67    69    72  -0.17500 -1.0 2.0
   70    67    69    72   0.20800  1.0 3.0
   70    67    69    75   0.86500  1.0 1.0
   70    67    69    75  -0.17500 -1.0 2.0
   70    67    69    75   0.20800  1.0 3.0
   65    62    64    67  -0.81800  1.0 1.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.56750  1.0 1.0
   55    51    53    59  -0.07550 -1.0 2.0
   55    51    53    59   0.20000  1.0 3.0
   55    51    53    69   0.56750  1.0 1.0
   55    51    53    69  -0.07550 -1.0 2.0
   55    51    53    69   0.20000  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
