* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    148    225     437
    1     0 S   NP   _N1_     1    28.66659    95.71146   -24.17341
    2     1 S   H    _HN1     2     1.02786   107.49972   -86.65943
    3     1 S   H    _H1_     3     1.02950    74.17391    18.05721
    4     1 S   H    _H2_     4     1.02828    35.14504   176.92699
    5     1 S   CT   _CA1     5     1.50111   135.39028   121.27447
    6     5 S   HC   _HA1     6     1.09573   105.19609    89.77546
    7     5 S   CO3  _C1_     7     1.53789   112.47888   -30.46657
    8     7 S   O2Z  _O11     8     1.26373   115.00737   -42.19685
    9     7 S   O2Z  _O12     9     1.26241   114.94659   136.95115
   10     5 S   CT   _CB1    10     1.53077   107.42351  -152.22806
   11    10 S   HC   HB11    11     1.09833   109.38032   -49.63620
   12    10 S   HC   HB12    12     1.09813   110.44214    66.97630
   13    10 S   CT   _CG1    13     1.52987   112.60283  -170.61293
   14    13 S   HC   HG11    14     1.09583   110.62944   -65.56488
   15    13 S   HC   HG12    15     1.09669   109.79181    53.67112
   16    13 S   C    _CD1    16     1.51794   112.23247   174.13465
   17    16 S   O    _OE1    17     1.22728   123.28927     6.75741
   18    16 S   N    _N2_    18     1.38651   111.65757  -173.34734
   19    18 S   H    _HN2    19     1.01575   118.92548     1.93209
   20    18 S   CT1  _CA2    20     1.46200   123.39658   177.74051
   21    20 S   HC   _HA2    21     1.09733   109.39756     2.89083
   22    20 S   C    _C2_    22     1.53545   108.55255  -112.66302
   23    22 S   O    _O2_    23     1.23059   122.28780  -147.19864
   24    20 S   CT   _CB2    32     1.53343   111.54695   124.96837
   25    24 S   HC   HB21    33     1.09539   109.88790    56.57919
   26    24 S   HC   HB22    34     1.09398   109.85309   175.81250
   27    22 S   N    _N3_    24     1.38331   113.69026    40.18357
   28    27 S   H    _HN3    25     1.01584   119.58607    -3.23156
   29    24 S   S    _SG2    35     1.82537   111.50036   -64.73376
   30    27 S   CT   _CA3    26     1.45288   123.21490   177.18033
   31    30 S   HC   HA31    27     1.09548   107.50278   -64.74603
   32    30 S   HC   HA32    28     1.09556   107.99299    51.69329
   33    29 S   CT   _C16    36     1.86117   100.41872   164.66406
   34    33 S   HC   _H3_    37     1.09171   104.53803   -47.84854
   35    30 S   CO3  _C3_    29     1.52962   114.07920   173.69115
   36    35 S   O2Z  _O31    30     1.26375   116.06704    -0.82874
   37    35 S   O2Z  _O32    31     1.26427   114.41490   179.23562
   38    33 S   CT   _C11    38     1.55769   108.67449    70.88813
   39    38 S   HC   _H29    39     1.09493   110.57695   132.00675
   40    38 S   HC   _H30    40     1.09790   111.28562    17.09126
   41    33 S   CT   _C17    60     1.57560   110.92950  -163.06347
   42    38 S   CT   _C10    41     1.54848   114.97417  -105.69938
   43    42 S   HC   _H27    42     1.09759   109.10630  -175.48360
   44    42 S   HC   _H28    43     1.09514   109.15288    69.66097
   45    41 S   CT   _C20    61     1.54030   112.86561    51.19726
   46    45 S   HC   _H43    62     1.09490   112.03952   -70.25291
   47    45 S   HC   _H44    63     1.09665   110.65986   172.88691
   48    45 S   HC   _H45    64     1.09446   111.78109    52.22680
   49    41 S   OH   _O21    65     1.43877   107.52922   -67.16887
   50    49 S   HO   _H46    66     0.97253   108.11099   174.82570
   51    42 S   CM   _C5_    44     1.51553   113.97436   -53.37454
   52    51 S   CM   _C4_    45     1.34695   119.44247   -58.06377
   53    52 S   HC   _H24    46     1.08950   117.95923    -7.94053
   54    51 S   CT   _C18    77     1.50384   115.16311   117.54076
   55    54 S   HC   _H37    78     1.09397   110.67474   -63.68372
   56    54 S   HC   _H38    79     1.09162   113.54871   174.84383
   57    54 S   HC   _H39    80     1.09555   109.76201    55.71150
   58    52 S   CT   _C13    47     1.50530   127.28944   163.81176
   59    58 S   HC   _H33    48     1.09441   112.39726    13.56900
   60    58 S   CT   _C14    49     1.55503   110.56615  -108.24085
   61    60 S   HC   _H34    50     1.09948   109.87925   -79.35995
   62    58 S   OS   _O22    70     1.44700   107.95168   134.11480
   63    60 S   CM   _C6_    51     1.49718   114.84445   160.09536
   64    62 S   CO4  _C9_    71     1.36358   117.20535   -86.06612
   65    64 S   O    _O19    72     1.22307   126.46504    -0.16313
   66    63 S   CO4  _C7_    52     1.47602   109.17204  -143.28902
   67    66 S   O    _O18    53     1.21762   127.03091  -170.37455
   68    63 S   CM   _C8_    67     1.33661   130.12442    35.55368
   69    68 S   HC   _H25    68     1.08391   121.52473     1.05943
   70    68 S   HC   _H26    69     1.08560   121.64721  -179.31244
   71    64 S   CT   _C19    73     1.49835   109.45072   179.98022
   72    71 S   HC   _H40    74     1.09290   109.83459   -60.72806
   73    71 S   HC   _H41    75     1.09378   109.36339  -179.76015
   74    71 S   HC   _H42    76     1.09291   109.81219    61.18520
   75    66 S   OS   _O20    54     1.35986   107.26730     8.62662
   76    60 S   CT   _C15    55     1.53977   114.43017    45.11000
   77    76 S   HC   _H35    56     1.09479   111.25070    32.49365
   78    76 S   CT   _C12    57     1.54247   112.97666   -94.20910
   79    78 S   HC   _H31    58     1.10035   108.50825   -84.84324
   80    78 S   HC   _H32    59     1.09282   111.06098    28.21761
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  12   6   5  14  10   4   3   9   4   3   2
   5   1  10  13   5   4   2   1   1  14   6  15   8   8   9   5
   4   8   3   4   1   1   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    78    41    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    51    76    78    79    80    41    45    46    47    48    49    50  
   38    39    40    42    78    41    45    49  
   36    37  
   37  
    0  
   39    40    42    43    44    51    52    78    41    45    49    54  
   40    42    43    44    51    41  
   42    43    44    51    41  
   45    46    47    48    49    50    42    60    75    76    77    78    79    80  
   43    44    51    52    53    58    54    55    56    57  
   44    51    52    54  
   51    52    54  
   46    47    48    49    50    76    78    79    80  
   47    48    49    78  
   48    49    78  
   49    78  
   50    76    78    79    80  
   78  
   52    53    58    59    60    62    54    55    56    57  
   53    58    59    60    61    63    76    62    64    54    55    56    57  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    63    66    75    76    77    78    68    62    64    65    71  
   60    61    63    76    62    64  
   61    63    66    67    75    76    77    78    79    80    68    69    70    62    64  
   63    66    75    76    77    78    68    62  
   64    65    71    72    73    74    63    76  
   66    67    75    76    77    78    68    69    70  
   65    71    72    73    74  
   71    72    73    74  
   67    75    76    77    78    68    69    70  
   75    76    68  
   69    70    75    76  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    63   317.000  1.510
   60    76   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    75   214.000  1.327
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    41   268.000  1.529
   41    45   268.000  1.529
   41    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   553.000  0.945
   68    69   340.000  1.080
   68    70   340.000  1.080
   62    64   214.000  1.327
   64    65   570.000  1.229
   64    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    78    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    51    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    51    52    70.00000  124.00000
   42    51    54    65.00000  117.92700
   44    42    43    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    44    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  112.02700
   52    58    62    85.00000  110.90400
   58    52    53    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    63    70.00000  112.02700
   58    60    76    58.35000  112.70000
   58    62    64    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    63    66    65.00000  116.34900
   60    63    68    70.00000  124.00000
   60    76    75    50.00000  109.50000
   60    76    77    37.50000  110.70000
   60    76    78    58.35000  112.70000
   63    60    61    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    75    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   66    75    76    83.00000  116.90000
   75    66    67    83.00000  123.40000
   75    76    77    35.00000  109.50000
   75    76    78    50.00000  109.50000
   76    60    61    37.50000  110.70000
   76    60    63    70.00000  112.02700
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    41    58.35000  112.70000
   78    76    77    37.50000  110.70000
   78    41    45    58.35000  112.70000
   78    41    49    50.00000  109.50000
   80    78    79    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    78    79    37.50000  110.70000
   41    78    80    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    50.00000  109.50000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  109.50000
   62    64    65    83.00000  123.40000
   62    64    71    81.00000  111.40000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   71    64    65    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    78   0.44750  1.0 1.0
   29    33    41    78  -0.17800 -1.0 2.0
   29    33    41    78   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    51   0.34400  1.0 1.0
   33    38    42    51   0.09450 -1.0 2.0
   33    38    42    51   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    78   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    78   0.56750  1.0 1.0
   38    33    41    78  -0.07550 -1.0 2.0
   38    33    41    78   0.20000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    42    51    52   0.09850  1.0 1.0
   38    42    51    52   0.15250 -1.0 2.0
   38    42    51    52  -0.50650  1.0 3.0
   38    42    51    54   0.46850  1.0 1.0
   38    42    51    54   0.08550 -1.0 2.0
   38    42    51    54   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    51   0.15000  1.0 3.0
   42    51    52    53   7.00000 -1.0 2.0
   42    51    52    58   7.00000 -1.0 2.0
   42    51    54    55   0.34800  1.0 3.0
   42    51    54    56   0.34800  1.0 3.0
   42    51    54    57   0.34800  1.0 3.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    54   0.34800  1.0 3.0
   44    42    51    52   0.00000  1.0 1.0
   44    42    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.09850  1.0 1.0
   51    52    58    60   0.15250 -1.0 2.0
   51    52    58    60  -0.50650  1.0 3.0
   51    52    58    62   0.39000  1.0 1.0
   51    52    58    62  -0.05800 -1.0 2.0
   51    52    58    62  -0.55150  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    63   0.31000  1.0 1.0
   52    58    60    63   0.14700 -1.0 2.0
   52    58    60    63   0.07550  1.0 3.0
   52    58    60    76   0.34400  1.0 1.0
   52    58    60    76   0.09450 -1.0 2.0
   52    58    60    76   0.11100  1.0 3.0
   52    58    62    64  -0.82050  1.0 1.0
   52    58    62    64   0.00600 -1.0 2.0
   52    58    62    64   0.04400  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    62   0.00000  1.0 1.0
   58    60    63    66   0.09700  1.0 1.0
   58    60    63    66   0.15600 -1.0 2.0
   58    60    63    66  -0.50800  1.0 3.0
   58    60    63    68   0.09850  1.0 1.0
   58    60    63    68   0.15250 -1.0 2.0
   58    60    63    68  -0.50650  1.0 3.0
   58    60    76    75   0.62750  1.0 1.0
   58    60    76    75  -0.30950 -1.0 2.0
   58    60    76    75   0.27300  1.0 3.0
   58    60    76    77   0.15000  1.0 3.0
   58    60    76    78   0.56750  1.0 1.0
   58    60    76    78  -0.07550 -1.0 2.0
   58    60    76    78   0.20000  1.0 3.0
   58    62    64    65   3.00000 -1.0 2.0
   58    62    64    71   1.63150  1.0 1.0
   58    62    64    71   2.92000 -1.0 2.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    60    76   0.15000  1.0 3.0
   59    58    62    64   0.08050  1.0 3.0
   60    58    62    64  -0.25900  1.0 1.0
   60    58    62    64  -0.47000 -1.0 2.0
   60    58    62    64   0.11750  1.0 3.0
   60    63    66    67  -0.64400  1.0 1.0
   60    63    66    67   0.26850 -1.0 2.0
   60    63   -66    75  -0.15000  1.0 1.0
   60    63   -66    75   0.89550 -1.0 2.0
   60    63   -66    75  -0.06900  1.0 3.0
   60    63    68    69   7.00000 -1.0 2.0
   60    63    68    70   7.00000 -1.0 2.0
   60    76    78    79   0.15000  1.0 3.0
   60    76    78    80   0.15000  1.0 3.0
   60    76    78    41   0.56750  1.0 1.0
   60    76    78    41  -0.07550 -1.0 2.0
   60    76    78    41   0.20000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    68   0.00000  1.0 1.0
   61    60    76    75   0.23400  1.0 3.0
   61    60    76    77   0.15000  1.0 3.0
   61    60    76    78   0.15000  1.0 3.0
   63    60   -76    75   0.61850  1.0 1.0
   63    60   -76    75  -0.22750 -1.0 2.0
   63    60   -76    75   0.15300  1.0 3.0
   63    60    76    77   0.15000  1.0 3.0
   63    60    76    78   0.34400  1.0 1.0
   63    60    76    78   0.09450 -1.0 2.0
   63    60    76    78   0.11100  1.0 3.0
   63    66   -75    76   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   66    75   -76    60  -0.25900  1.0 1.0
   66    75   -76    60  -0.47000 -1.0 2.0
   66    75   -76    60   0.11750  1.0 3.0
   66    75    76    77   0.08050  1.0 3.0
   66    75    76    78  -0.25900  1.0 1.0
   66    75    76    78  -0.47000 -1.0 2.0
   66    75    76    78   0.11750  1.0 3.0
   67    66    75    76   3.00000 -1.0 2.0
   75    76    78    79   0.23400  1.0 3.0
   75    76    78    80   0.23400  1.0 3.0
   75    76    78    41   0.62750  1.0 1.0
   75    76    78    41  -0.30950 -1.0 2.0
   75    76    78    41   0.27300  1.0 3.0
   76    60   -63    66   0.09700  1.0 1.0
   76    60   -63    66   0.15600 -1.0 2.0
   76    60   -63    66  -0.50800  1.0 3.0
   76    60    63    68   0.09850  1.0 1.0
   76    60    63    68   0.15250 -1.0 2.0
   76    60    63    68  -0.50650  1.0 3.0
   76    78    41    33   0.56750  1.0 1.0
   76    78    41    33  -0.07550 -1.0 2.0
   76    78    41    33   0.20000  1.0 3.0
   76    78    41    45   0.56750  1.0 1.0
   76    78    41    45  -0.07550 -1.0 2.0
   76    78    41    45   0.20000  1.0 3.0
   76    78    41    49   0.86500  1.0 1.0
   76    78    41    49  -0.17500 -1.0 2.0
   76    78    41    49   0.20800  1.0 3.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    41   0.15000  1.0 3.0
   78    41    45    46   0.15000  1.0 3.0
   78    41    45    47   0.15000  1.0 3.0
   78    41    45    48   0.15000  1.0 3.0
   78    41    49    50  -0.11600  1.0 1.0
   78    41    49    50  -0.09450 -1.0 2.0
   78    41    49    50   0.21250  1.0 3.0
   79    78    41    33   0.15000  1.0 3.0
   79    78    41    45   0.15000  1.0 3.0
   79    78    41    49   0.23400  1.0 3.0
   80    78    41    33   0.15000  1.0 3.0
   80    78    41    45   0.15000  1.0 3.0
   80    78    41    49   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50  -0.11600  1.0 1.0
   45    41    49    50  -0.09450 -1.0 2.0
   45    41    49    50   0.21250  1.0 3.0
   49    41    45    46   0.23400  1.0 3.0
   49    41    45    47   0.23400  1.0 3.0
   49    41    45    48   0.23400  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    75  -0.56150  1.0 1.0
   68    63    66    75   2.19150 -1.0 2.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    63   0.61850  1.0 1.0
   62    58    60    63  -0.22750 -1.0 2.0
   62    58    60    63   0.15300  1.0 3.0
   62    58    60    76   0.62750  1.0 1.0
   62    58    60    76  -0.30950 -1.0 2.0
   62    58    60    76   0.27300  1.0 3.0
   62    64    71    72   0.00000  1.0 1.0
   62    64    71    73   0.00000  1.0 1.0
   62    64    71    74   0.00000  1.0 1.0
   65    64    71    72   0.00000  1.0 1.0
   65    64    71    73   0.00000  1.0 1.0
   65    64    71    74   0.00000  1.0 1.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
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
   42    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   60    66    63    68   1.10000 -1.0 2.0
   63    75    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   62    71    64    65  10.50000 -1.0 2.0
END
