* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    237     443
    1     0 S   NP   _N1_     1    28.84313    95.77559   -24.49626
    2     1 S   H    _HN1     2     1.02951    75.57146    10.41233
    3     1 S   H    _H1_     3     1.02826    32.49524   176.03020
    4     1 S   H    _H2_     4     1.02785   111.37256   -93.97966
    5     1 S   CT   _CA1     5     1.50120   130.83701   115.08695
    6     5 S   HC   _HA1     6     1.09576   105.18018    89.36577
    7     5 S   CO3  _C1_     7     1.53772   112.43975   -30.81743
    8     7 S   O2Z  _O11     8     1.26369   115.00574   -43.10624
    9     7 S   O2Z  _O12     9     1.26240   114.93538   135.94841
   10     5 S   CT   _CB1    10     1.53073   107.40241  -152.71633
   11    10 S   HC   HB11    11     1.09835   109.29250   -50.08700
   12    10 S   HC   HB12    12     1.09812   110.48221    66.49198
   13    10 S   CT   _CG1    13     1.53000   112.64308  -171.08456
   14    13 S   HC   HG11    14     1.09582   110.62683   -66.69060
   15    13 S   HC   HG12    15     1.09672   109.78568    52.54742
   16    13 S   C    _CD1    16     1.51812   112.17806   172.92732
   17    16 S   O    _OE1    17     1.22742   123.26797     7.32708
   18    16 S   N    _N2_    18     1.38656   111.71093  -172.60294
   19    18 S   H    _HN2    19     1.01584   118.97463     1.08282
   20    18 S   CT1  _CA2    20     1.46195   123.36233   177.01181
   21    20 S   HC   _HA2    21     1.09741   109.30800     3.58889
   22    20 S   C    _C2_    22     1.53582   108.74592  -111.85325
   23    22 S   O    _O2_    23     1.23067   122.25790  -148.85798
   24    20 S   CT   _CB2    32     1.53342   111.65493   125.55411
   25    24 S   HC   HB21    33     1.09519   109.99042    56.73948
   26    24 S   HC   HB22    34     1.09516   110.05144   175.78518
   27    22 S   N    _N3_    24     1.38322   113.76156    38.66520
   28    27 S   H    _HN3    25     1.01576   119.58192    -3.43342
   29    24 S   S    _SG2    35     1.82807   111.37217   -64.45129
   30    27 S   CT   _CA3    26     1.45286   123.24388   177.08987
   31    30 S   HC   HA31    27     1.09549   107.51990   -64.39149
   32    30 S   HC   HA32    28     1.09556   107.97826    52.05189
   33    29 S   CT   _C12    36     1.82008   100.03239  -175.79816
   34    33 S   HC   _H3_    37     1.09677   106.39734    42.68911
   35    30 S   CO3  _C3_    29     1.52966   114.06325   174.03954
   36    35 S   O2Z  _O31    30     1.26378   116.06556    -0.66264
   37    35 S   O2Z  _O32    31     1.26427   114.41526   179.39704
   38    33 S   CM   _C4_    38     1.49437   110.01978   -74.69974
   39    38 S   HC   _H25    39     1.08348   122.51902    66.87464
   40    38 S   CMA  _C5_    40     1.34318   114.65031  -114.41694
   41    40 S   OM   _O18    41     1.25926   132.15020  -179.87333
   42    40 S   CT   _C16    42     1.56823   110.53584     1.65150
   43    42 S   CT   _C15    43     1.57375   112.16852  -136.16554
   44    43 S   HC   _H35    44     1.10124   108.23373    26.87234
   45    33 S   CT   _C17    62     1.56717   120.75200   167.50368
   46    42 S   CT   _C19    75     1.54947   105.72704   102.41882
   47    46 S   HC   _H39    76     1.08998   112.28442   173.58030
   48    46 S   HC   _H40    77     1.09733   111.89302    55.15748
   49    46 S   HC   _H41    78     1.09383   112.27045   -63.83272
   50    43 S   CT   _C13    45     1.53500   120.52597   149.63101
   51    50 S   HC   _H33    46     1.09733   109.54966   -94.01416
   52    45 S   OH   _O22    63     1.46622   102.12080  -151.45213
   53    52 S   HO   _H44    64     0.97261   108.10722    66.25635
   54    50 S   CM   _C6_    47     1.49478    99.86219   151.51976
   55    50 S   CT   _C10    54     1.53076   118.15908    31.43950
   56    55 S   HC   _H28    55     1.09936   108.29998   160.50737
   57    55 S   HC   _H29    56     1.09302   111.65246    45.40712
   58    54 S   CO4  _C7_    48     1.47137   109.46891   -22.44779
   59    58 S   O    _O19    49     1.21728   127.13686  -169.05513
   60    54 S   CM   _C8_    51     1.33598   128.34369   155.20136
   61    60 S   HC   _H26    52     1.08490   120.72036     1.27626
   62    60 S   HC   _H27    53     1.08504   121.73161  -178.68121
   63    55 S   CT   _C11    57     1.53171   113.60674   -82.14487
   64    63 S   HC   _H30    58     1.09830   107.78817  -161.63539
   65    63 S   HC   _H31    59     1.09759   109.17815   -48.68946
   66    43 S   OS   _O21    50     1.45141   110.05656   -87.75234
   67    63 S   CT   _C14    60     1.55179   116.24814    76.10177
   68    67 S   HC   _H34    61     1.10159   103.78059  -170.99881
   69    67 S   CT   _C20    65     1.54348   108.04980    76.86394
   70    69 S   HC   _H42    66     1.09273   111.83327   -42.81517
   71    69 S   HC   _H43    67     1.08673   113.51656  -165.70877
   72    69 S   OS   _O23    68     1.44611   108.07745    74.92878
   73    72 S   CO4  _C9_    69     1.36258   115.78661  -179.67135
   74    73 S   O    _O20    70     1.22324   126.28702     0.49138
   75    73 S   CT   _C18    71     1.49826   109.56981  -179.57113
   76    75 S   HC   _H36    72     1.09290   109.83132   -60.98424
   77    75 S   HC   _H37    73     1.09380   109.36070   179.96574
   78    75 S   HC   _H38    74     1.09291   109.82910    60.92937
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1   9   4  13   4  19  19   8  18   7   2   1
   1  15   8   5   1  10  11   5   4   5   2   3   1   1   8   4
   3   1   6   4   6   3   2   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    67    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    63    67    68    45    52    53    69    46  
   38    39    40    42    67    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    67    45    52    46  
   40    41    42    45  
   41    42    43    44    50    66    67    45    52    46    47    48    49  
   42    43    45    46  
   43    44    50    51    54    58    66    55    63    67    68    45    52    53    69    46    47    48    49  
   44    50    51    54    58    59    66    60    55    56    57    63    67    45    52    46    47    48    49  
   50    51    54    58    66    55    45    46  
   52    53    69    70    71    72    46    47    48    49    50    55    63    64    65    66    67    68  
   47    48    49    50    52    66    67  
   48    49  
   49  
    0  
   51    54    58    59    66    60    61    62    55    56    57    63    64    65    67  
   54    58    66    60    55    56    57    63  
   53    69    63    67    68  
   67  
   58    59    66    60    61    62    55    56    57    63  
   56    57    63    64    65    67    68    69    58    60    66  
   57    63    64    65    67  
   63    64    65    67  
   59    66    60    61    62  
   66    60  
   61    62    66  
   62  
    0  
   64    65    67    68    69    70    71    72  
   65    67    68    69  
   67    68    69  
    0  
   68    69    70    71    72    73  
   69    70    71    72  
   70    71    72    73    74    75  
   71    72    73  
   72    73  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    46   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    66   320.000  1.410
   50    51   340.000  1.090
   50    54   317.000  1.510
   50    55   268.000  1.529
   54    58   320.000  1.462
   54    60   549.000  1.340
   58    59   570.000  1.229
   58    66   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    45   268.000  1.529
   67    69   268.000  1.529
   45    52   320.000  1.410
   52    53   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   320.000  1.410
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    42    58.35000  112.70000
   33    45    67    58.35000  112.70000
   33    45    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    46    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    50    58.35000  112.70000
   42    43    66    50.00000  109.50000
   42    45    67    58.35000  112.70000
   42    45    52    50.00000  109.50000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    54    70.00000  112.02700
   43    50    55    58.35000  112.70000
   43    66    58    83.00000  116.90000
   50    43    44    37.50000  110.70000
   50    54    58    65.00000  116.34900
   50    54    60    70.00000  124.00000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    63    58.35000  112.70000
   54    50    51    35.00000  109.50000
   54    58    59    80.00000  123.72100
   54    58    66    90.00000  111.29400
   54    60    61    35.00000  120.00000
   54    60    62    35.00000  120.00000
   66    43    44    35.00000  109.50000
   66    43    50    50.00000  109.50000
   66    58    59    83.00000  123.40000
   60    54    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   55    50    51    37.50000  110.70000
   55    50    54    70.00000  112.02700
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    45    58.35000  112.70000
   63    67    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    45    52    50.00000  109.50000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    42    43    58.35000  112.70000
   45    67    68    37.50000  110.70000
   45    52    53    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    67    45    58.35000  112.70000
   69    72    73    83.00000  116.90000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   46    42    43    58.35000  112.70000
   46    42    45    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    42   0.44750  1.0 1.0
   29    33    45    42  -0.17800 -1.0 2.0
   29    33    45    42   0.20200  1.0 3.0
   29    33    45    67   0.44750  1.0 1.0
   29    33    45    67  -0.17800 -1.0 2.0
   29    33    45    67   0.20200  1.0 3.0
   29    33    45    52   0.56750  1.0 1.0
   29    33    45    52  -0.07550 -1.0 2.0
   29    33    45    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    45    52    53  -0.11600  1.0 1.0
   33    45    52    53  -0.09450 -1.0 2.0
   33    45    52    53   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    42   0.15000  1.0 3.0
   34    33    45    67   0.15000  1.0 3.0
   34    33    45    52   0.23400  1.0 3.0
   38    33   -45    42   0.34400  1.0 1.0
   38    33   -45    42   0.09450 -1.0 2.0
   38    33   -45    42   0.11100  1.0 3.0
   38    33    45    67   0.34400  1.0 1.0
   38    33    45    67   0.09450 -1.0 2.0
   38    33    45    67   0.11100  1.0 3.0
   38    33    45    52   1.05650  1.0 1.0
   38    33    45    52   0.15600 -1.0 2.0
   38    33    45    52   0.53150  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   38    40    42    46   0.09850  1.0 1.0
   38    40    42    46   0.15250 -1.0 2.0
   38    40    42    46  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    50   0.34400  1.0 1.0
   40    42    43    50   0.09450 -1.0 2.0
   40    42    43    50   0.11100  1.0 3.0
   40    42    43    66   0.61850  1.0 1.0
   40    42    43    66  -0.22750 -1.0 2.0
   40    42    43    66   0.15300  1.0 3.0
   40    42   -45    33   0.34400  1.0 1.0
   40    42   -45    33   0.09450 -1.0 2.0
   40    42   -45    33   0.11100  1.0 3.0
   40    42    45    67   0.34400  1.0 1.0
   40    42    45    67   0.09450 -1.0 2.0
   40    42    45    67   0.11100  1.0 3.0
   40    42    45    52   1.05650  1.0 1.0
   40    42    45    52   0.15600 -1.0 2.0
   40    42    45    52   0.53150  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    49   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   42    43    50    51   0.15000  1.0 3.0
   42    43    50    54   0.34400  1.0 1.0
   42    43    50    54   0.09450 -1.0 2.0
   42    43    50    54   0.11100  1.0 3.0
   42    43    50    55   0.56750  1.0 1.0
   42    43    50    55  -0.07550 -1.0 2.0
   42    43    50    55   0.20000  1.0 3.0
   42    43    66    58  -0.25900  1.0 1.0
   42    43    66    58  -0.47000 -1.0 2.0
   42    43    66    58   0.11750  1.0 3.0
   42    45    52    53  -0.11600  1.0 1.0
   42    45    52    53  -0.09450 -1.0 2.0
   42    45    52    53   0.21250  1.0 3.0
   43    42    45    33   0.56750  1.0 1.0
   43    42    45    33  -0.07550 -1.0 2.0
   43    42    45    33   0.20000  1.0 3.0
   43    42    45    67   0.56750  1.0 1.0
   43    42    45    67  -0.07550 -1.0 2.0
   43    42    45    67   0.20000  1.0 3.0
   43    42    45    52   0.86500  1.0 1.0
   43    42    45    52  -0.17500 -1.0 2.0
   43    42    45    52   0.20800  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    50   -54    58   0.09700  1.0 1.0
   43    50   -54    58   0.15600 -1.0 2.0
   43    50   -54    58  -0.50800  1.0 3.0
   43    50    54    60   0.09850  1.0 1.0
   43    50    54    60   0.15250 -1.0 2.0
   43    50    54    60  -0.50650  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    57   0.15000  1.0 3.0
   43    50    55    63   0.56750  1.0 1.0
   43    50    55    63  -0.07550 -1.0 2.0
   43    50    55    63   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   44    43    66    58   0.08050  1.0 3.0
   50    43   -66    58  -0.25900  1.0 1.0
   50    43   -66    58  -0.47000 -1.0 2.0
   50    43   -66    58   0.11750  1.0 3.0
   50    54    58    59  -0.64400  1.0 1.0
   50    54    58    59   0.26850 -1.0 2.0
   50    54   -58    66  -0.15000  1.0 1.0
   50    54   -58    66   0.89550 -1.0 2.0
   50    54   -58    66  -0.06900  1.0 3.0
   50    54    60    61   7.00000 -1.0 2.0
   50    54    60    62   7.00000 -1.0 2.0
   50    55    63    64   0.15000  1.0 3.0
   50    55    63    65   0.15000  1.0 3.0
   50    55    63    67   0.56750  1.0 1.0
   50    55    63    67  -0.07550 -1.0 2.0
   50    55    63    67   0.20000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    54    60   0.00000  1.0 1.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    63   0.15000  1.0 3.0
   54    50    55    56   0.15000  1.0 3.0
   54    50    55    57   0.15000  1.0 3.0
   54    50    55    63   0.34400  1.0 1.0
   54    50    55    63   0.09450 -1.0 2.0
   54    50    55    63   0.11100  1.0 3.0
   54    58   -66    43   2.00000 -1.0 2.0
   58    54    60    61   7.00000 -1.0 2.0
   58    54    60    62   7.00000 -1.0 2.0
   59    58    66    43   3.00000 -1.0 2.0
   66    43    50    51   0.23400  1.0 3.0
   66    43   -50    54   0.61850  1.0 1.0
   66    43   -50    54  -0.22750 -1.0 2.0
   66    43   -50    54   0.15300  1.0 3.0
   66    43    50    55   0.62750  1.0 1.0
   66    43    50    55  -0.30950 -1.0 2.0
   66    43    50    55   0.27300  1.0 3.0
   60    54    58    59   1.00000 -1.0 2.0
   60    54    58    66  -0.56150  1.0 1.0
   60    54    58    66   2.19150 -1.0 2.0
   55    50    54    58   0.09700  1.0 1.0
   55    50    54    58   0.15600 -1.0 2.0
   55    50    54    58  -0.50800  1.0 3.0
   55    50    54    60   0.09850  1.0 1.0
   55    50    54    60   0.15250 -1.0 2.0
   55    50    54    60  -0.50650  1.0 3.0
   55    63    67    68   0.15000  1.0 3.0
   55    63    67    45   0.56750  1.0 1.0
   55    63    67    45  -0.07550 -1.0 2.0
   55    63    67    45   0.20000  1.0 3.0
   55    63    67    69   0.56750  1.0 1.0
   55    63    67    69  -0.07550 -1.0 2.0
   55    63    67    69   0.20000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    67   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   57    55    63    67   0.15000  1.0 3.0
   63    67    45    33   0.56750  1.0 1.0
   63    67    45    33  -0.07550 -1.0 2.0
   63    67    45    33   0.20000  1.0 3.0
   63    67    45    42   0.56750  1.0 1.0
   63    67    45    42  -0.07550 -1.0 2.0
   63    67    45    42   0.20000  1.0 3.0
   63    67    45    52   0.86500  1.0 1.0
   63    67    45    52  -0.17500 -1.0 2.0
   63    67    45    52   0.20800  1.0 3.0
   63    67    69    70   0.15000  1.0 3.0
   63    67    69    71   0.15000  1.0 3.0
   63    67    69    72   0.62750  1.0 1.0
   63    67    69    72  -0.30950 -1.0 2.0
   63    67    69    72   0.27300  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    45   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    45   0.15000  1.0 3.0
   65    63    67    69   0.15000  1.0 3.0
   67    45    52    53  -0.11600  1.0 1.0
   67    45    52    53  -0.09450 -1.0 2.0
   67    45    52    53   0.21250  1.0 3.0
   67    69    72    73  -0.25900  1.0 1.0
   67    69    72    73  -0.47000 -1.0 2.0
   67    69    72    73   0.11750  1.0 3.0
   68    67    45    33   0.15000  1.0 3.0
   68    67    45    42   0.15000  1.0 3.0
   68    67    45    52   0.23400  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.23400  1.0 3.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40   0.09850  1.0 1.0
   45    33   -38    40   0.15250 -1.0 2.0
   45    33   -38    40  -0.50650  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    50   0.56750  1.0 1.0
   45    42    43    50  -0.07550 -1.0 2.0
   45    42    43    50   0.20000  1.0 3.0
   45    42    43    66   0.62750  1.0 1.0
   45    42    43    66  -0.30950 -1.0 2.0
   45    42    43    66   0.27300  1.0 3.0
   45    42    46    47   0.15000  1.0 3.0
   45    42    46    48   0.15000  1.0 3.0
   45    42    46    49   0.15000  1.0 3.0
   45    67    69    70   0.15000  1.0 3.0
   45    67    69    71   0.15000  1.0 3.0
   45    67    69    72   0.62750  1.0 1.0
   45    67    69    72  -0.30950 -1.0 2.0
   45    67    69    72   0.27300  1.0 3.0
   69    67    45    33   0.56750  1.0 1.0
   69    67    45    33  -0.07550 -1.0 2.0
   69    67    45    33   0.20000  1.0 3.0
   69    67    45    42   0.56750  1.0 1.0
   69    67    45    42  -0.07550 -1.0 2.0
   69    67    45    42   0.20000  1.0 3.0
   69    67    45    52   0.86500  1.0 1.0
   69    67    45    52  -0.17500 -1.0 2.0
   69    67    45    52   0.20800  1.0 3.0
   69    72    73    74   3.00000 -1.0 2.0
   69    72    73    75   1.63150  1.0 1.0
   69    72    73    75   2.92000 -1.0 2.0
   70    69    72    73   0.08050  1.0 3.0
   71    69    72    73   0.08050  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    50   0.56750  1.0 1.0
   46    42    43    50  -0.07550 -1.0 2.0
   46    42    43    50   0.20000  1.0 3.0
   46    42    43    66   0.62750  1.0 1.0
   46    42    43    66  -0.30950 -1.0 2.0
   46    42    43    66   0.27300  1.0 3.0
   46    42    45    33   0.56750  1.0 1.0
   46    42    45    33  -0.07550 -1.0 2.0
   46    42    45    33   0.20000  1.0 3.0
   46    42    45    67   0.56750  1.0 1.0
   46    42    45    67  -0.07550 -1.0 2.0
   46    42    45    67   0.20000  1.0 3.0
   46    42    45    52   0.86500  1.0 1.0
   46    42    45    52  -0.17500 -1.0 2.0
   46    42    45    52   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   50    58    54    60   1.10000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
   61    62    60    54   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
