* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    150    221     422
    1     0 S   NP   _N1_     1    29.02087   100.62980   -21.27016
    2     1 S   H    _HN1     2     1.02789    91.02486   -89.87805
    3     1 S   H    _H1_     3     1.02959    54.71970    21.98658
    4     1 S   H    _H2_     4     1.02837    63.65011   160.63426
    5     1 S   CT   _CA1     5     1.50106   156.24340    78.84503
    6     5 S   HC   _HA1     6     1.09576   105.21117   130.54536
    7     5 S   CO3  _C1_     7     1.53632   112.64439    10.34147
    8     7 S   O2Z  _O11     8     1.26339   115.12067   -40.31156
    9     7 S   O2Z  _O12     9     1.26236   114.98651   139.03060
   10     5 S   CT   _CB1    10     1.53062   107.46606  -111.50426
   11    10 S   HC   HB11    11     1.09827   109.14498   -51.25163
   12    10 S   HC   HB12    12     1.09820   110.45853    65.23902
   13    10 S   CT   _CG1    13     1.53041   112.77216  -172.40198
   14    13 S   HC   HG11    14     1.09605   110.53579   -67.37390
   15    13 S   HC   HG12    15     1.09663   109.90336    51.90312
   16    13 S   C    _CD1    16     1.51786   112.25811   172.17933
   17    16 S   O    _OE1    17     1.22749   123.25577     2.66447
   18    16 S   N    _N2_    18     1.38562   111.74225  -177.25334
   19    18 S   H    _HN2    19     1.01555   119.07910     3.92810
   20    18 S   CT1  _CA2    20     1.45789   122.69658   176.35154
   21    20 S   HC   _HA2    21     1.09722   109.03091    23.57436
   22    20 S   C    _C2_    22     1.52914   106.69071   -93.50378
   23    22 S   O    _O2_    23     1.22992   122.93374   -29.42654
   24    20 S   CT   _CB2    32     1.53261   112.35428   146.97145
   25    24 S   HC   HB21    33     1.09388   109.85722    54.06907
   26    24 S   HC   HB22    34     1.09422   109.27881   172.89243
   27    22 S   N    _N3_    24     1.38465   112.65470   153.39128
   28    27 S   H    _HN3    25     1.01662   120.40626    -1.90290
   29    24 S   S    _SG2    35     1.82659   110.70121   -67.48971
   30    27 S   CT   _CA3    26     1.45358   122.41864   178.62912
   31    30 S   HC   HA31    27     1.09567   107.67644   -58.88389
   32    30 S   HC   HA32    28     1.09569   107.72415    57.42717
   33    29 S   CT   _C7_    36     1.88434   102.66582   172.73920
   34    30 S   CO3  _C3_    29     1.52880   114.37416   179.31901
   35    34 S   O2Z  _O31    30     1.26326   116.07046     0.45197
   36    34 S   O2Z  _O32    31     1.26442   114.40131  -179.54889
   37    33 S   CT   _C8_    37     1.56348   109.96620   -67.70649
   38    37 S   HC   _H10    38     1.09472   110.91304    64.95028
   39    37 S   HC   _H11    39     1.09612   110.00147  -178.37973
   40    33 S   CT   _C6_    70     1.56113   108.15152    51.28351
   41    40 S   HC   _H8_    71     1.09492   110.84195    48.80894
   42    40 S   HC   _H9_    72     1.09545   109.66004   -69.35640
   43    37 S   S    _S2_    40     1.83077   116.41407   -57.73827
   44    40 S   S    _S1_    73     1.83074   115.81256   171.19685
   45    43 S   C4T  _C9_    41     1.83253    97.17264   -55.62045
   46    45 S   HC   _H3_    42     1.09444   114.13816   -80.33166
   47    44 S   CRA  _C5_    74     1.72561   101.28189  -179.80617
   48    45 S   C4T  _C10    43     1.57615   115.33017   142.56511
   49    45 S   N4   _N8_    46     1.45646   109.64881    46.35525
   50    47 S   N5B  _N5_    75     1.31390   127.97255    -8.41405
   51    48 S   C4   _C11    44     1.57252    83.81946  -101.78499
   52    51 S   O    _O33    45     1.20952   136.63938   171.03904
   53    33 S   CT1  _C12    47     1.56651   108.60957   173.61832
   54    53 S   HC   _H4_    48     1.10007   106.11022   177.27351
   55    48 S   N    _N9_    52     1.49062   115.42535    10.52164
   56    55 S   H    _H12    53     1.01682   118.57154    13.41683
   57    48 S   OS   _O37    65     1.45374   114.64459   147.61509
   58    50 S   N5B  _N6_    76     1.37563   105.75711  -179.59458
   59    53 S   CO3  _C13    49     1.55043   121.61558   -66.85362
   60    59 S   O2Z  _O35    50     1.26047   116.79213    11.13112
   61    59 S   O2Z  _O34    51     1.26684   114.37935  -167.56387
   62    55 S   C    _C14    54     1.38641   122.98543  -168.13175
   63    62 S   O    _O36    55     1.22925   124.80754     2.41200
   64    57 S   CT   _C18    66     1.42050   116.64978   -76.30856
   65    64 S   HC   _H17    67     1.09305   108.40139   173.36327
   66    64 S   HC   _H18    68     1.09330   110.70806    54.16049
   67    64 S   HC   _H19    69     1.09313   110.30994   -67.79323
   68    58 S   N5A  _N7_    77     1.32723   111.12258     0.06256
   69    62 S   CT   _C15    56     1.51225   113.25918  -175.60404
   70    69 S   HC   _H13    57     1.09386   110.98322   -23.55266
   71    69 S   HC   _H14    58     1.09392   108.45736  -143.09636
   72    47 S   NA   _N4_    78     1.36438   123.45758   172.08225
   73    69 S   S    _S3_    59     1.81728   107.91946    97.33432
   74    72 S   CT   _C4_    79     1.43742   130.08580    -0.56441
   75    74 S   HC   _H5_    80     1.09269   108.66816    60.93319
   76    74 S   HC   _H6_    81     1.09332   109.58010  -179.36851
   77    74 S   HC   _H7_    82     1.09271   108.69332   -59.68504
   78    73 S   CT   _C16    60     1.81779    98.77067   179.93744
   79    78 S   HC   _H15    61     1.09378   108.91155   -56.47075
   80    78 S   HC   _H16    62     1.09352   108.59153    61.67264
   81    78 S   CZ   _C17    63     1.46632   111.50405  -177.54648
   82    81 S   NZ   _N10    64     1.16074   179.60584  -176.62339
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  13   6   8  14
   9   4   9   3   4   3   9   4   5   3   2   1   1   6   4   3
   2   1   1   5   7   3   2   4   5   3   2   1   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    53    54    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    51    49    53    54    59    60    61    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    49    53    54    59    40    41    42    44  
   39    43    45    53    40  
   43    45    53    40  
   41    42    44    47    50    72    43    49    53    54    59  
   42    44    47    53  
   44    47    53  
   45    46    48    51    49    53    55    57  
   47    50    58    68    72    74    53  
   46    48    51    52    49    53    54    59    55    56    62    57    64  
   48    51    49    53    55    57  
   50    58    68    72    74    75    76    77  
   51    52    49    53    55    56    62    63    69    57    64    65    66    67  
   53    54    59    60    61    55    57    51    52  
   58    68    72    74  
   52    53    54    59    55    56    62    57    64  
   53    55    57  
   54    59    60    61  
   59    60    61  
   56    62    63    69    70    71    73    57    64  
   62    63    69    57  
   64    65    66    67    62  
   68    72    74  
   60    61  
   61  
    0  
   63    69    70    71    73    78  
   69    70    71    73  
   65    66    67  
   66    67  
   67  
    0  
   72    74    75    76    77  
   70    71    73    78    79    80    81  
   71    73    78  
   73    78  
   74    75    76    77  
   78    79    80    81    82  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   69   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   73   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   74   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.3000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   82   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    49   305.000  1.456
   48    51   250.000  1.540
   48    55   337.000  1.449
   48    57   320.000  1.410
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   55    56   434.000  1.010
   55    62   490.000  1.335
   62    63   570.000  1.229
   62    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   222.000  1.810
   73    78   222.000  1.810
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   390.000  1.470
   81    82   650.000  1.157
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    50   488.000  1.335
   47    72   477.000  1.343
   50    58   290.000  1.379
   58    68   420.000  1.291
   68    72   400.000  1.349
   72    74   320.000  1.443
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    49    80.00000  108.62000
   45    48    51   100.00000   86.36000
   45    48    55    80.00000  110.05700
   45    48    57    50.00000  109.50000
   45    49    51   100.00000   93.00000
   45    49    53    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    49    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    62    50.00000  121.90000
   48    57    64    60.00000  109.50000
   51    49    53    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    48   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    59    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    59    60    70.00000  117.00000
   53    59    61    70.00000  117.00000
   59    53    54    35.00000  109.50000
   61    59    60    80.00000  126.00000
   55    48    51    75.00000  110.24000
   55    62    63    80.00000  122.90000
   55    62    69    70.00000  116.60000
   62    55    56    35.00000  119.80000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    73    70.00000  112.33000
   69    62    63    80.00000  120.40000
   69    73    78    62.00000   98.90000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    75.00000  110.06000
   78    81    82   150.00000  180.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  108.50000
   81    78    80    35.00000  108.50000
   57    48    51    90.00000  108.55600
   57    48    55    95.00000  111.00000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    50    70.00000  126.12900
   44    47    72    70.00000  123.45500
   47    50    58   100.00000  108.10500
   47    72    68    95.00000  110.06400
   47    72    74    60.00000  127.66100
   50    58    68   100.00000  111.97400
   58    68    72   110.00000  106.81600
   68    72    74    75.00000  118.68000
   72    47    50    70.00000  120.00000
   72    74    75    50.00000  108.61900
   72    74    76    50.00000  108.61900
   72    74    77    50.00000  108.61900
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    59  -2.17200  1.0 1.0
   29    33    53    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    53    59    60   0.00000  1.0 1.0
   33    53    59    61   0.00000  1.0 1.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    59  -0.84850  1.0 1.0
   37    33    53    59  -0.22800 -1.0 2.0
   37    33    53    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    49   0.01700  1.0 1.0
   37    43   -45    49  -0.23550 -1.0 2.0
   37    43   -45    49   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    51   0.00000  1.0 1.0
   43    45    48    55   0.00000  1.0 1.0
   43    45    48    57   0.00000  1.0 1.0
   43    45   -49    51   0.00000  1.0 1.0
   43    45    49    53   0.00000  1.0 1.0
   45    48    51    52  -0.11250  1.0 1.0
   45    48    51    52   0.11400 -1.0 2.0
   45    48    51    52  -0.28950  1.0 3.0
   45    48   -51    49   3.00000 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    62  -0.43950  1.0 1.0
   45    48    55    62  -0.08100 -1.0 2.0
   45    48    55    62   0.03350  1.0 3.0
   45    48    57    64   0.06250  1.0 1.0
   45    48    57    64  -0.01100 -1.0 2.0
   45    48    57    64   0.28050  1.0 3.0
   45    49   -53    33   0.00000  1.0 1.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    59   0.00000  1.0 1.0
   46    45    48    51   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45   -49    51   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   48    45   -49    51   0.00000  1.0 1.0
   48    45    49    53   0.00000  1.0 1.0
   48    51   -49    45   3.00000 -1.0 2.0
   48    51   -49    53   3.00000 -1.0 2.0
   48    55    62    63   3.04450 -1.0 2.0
   48    55    62    69   1.49850  1.0 1.0
   48    55    62    69   1.53950 -1.0 2.0
   48    57    64    65   0.37050  1.0 3.0
   48    57    64    66   0.37050  1.0 3.0
   48    57    64    67   0.37050  1.0 3.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    62  -0.42300  1.0 1.0
   51    48    55    62  -0.07000 -1.0 2.0
   51    48    55    62   0.04150  1.0 3.0
   51    48    57    64  -1.11000  1.0 1.0
   51    48    57    64   0.50250 -1.0 2.0
   51    48    57    64   0.47450  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    59   0.00000  1.0 1.0
   52    51   -49    45   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    45   -48    51   3.00000 -1.0 2.0
   49    45    48    55   2.20050  1.0 1.0
   49    45    48    55   0.63450 -1.0 2.0
   49    45    48    55  -0.91300  1.0 3.0
   49    45    48    57   1.12100  1.0 1.0
   49    45    48    57  -0.16500 -1.0 2.0
   49    53    59    60   0.00000  1.0 1.0
   49    53    59    61   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    43   0.44750  1.0 1.0
   53    33   -37    43  -0.17800 -1.0 2.0
   53    33   -37    43   0.20200  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    44   0.44750  1.0 1.0
   53    33    40    44  -0.17800 -1.0 2.0
   53    33    40    44   0.20200  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    49   0.00000  1.0 1.0
   55    48    57    64  -2.37750  1.0 1.0
   55    48    57    64  -0.08150 -1.0 2.0
   55    48    57    64   0.59000  1.0 3.0
   55    62    69    70   0.00000  1.0 1.0
   55    62    69    71   0.00000  1.0 1.0
   55    62    69    73   0.00000  1.0 1.0
   56    55    62    63   2.45000 -1.0 2.0
   56    55    62    69   2.45000 -1.0 2.0
   62    69    73    78   0.01700  1.0 1.0
   62    69    73    78  -0.23550 -1.0 2.0
   62    69    73    78   0.21350  1.0 3.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    71   0.00000  1.0 1.0
   63    62    69    73   0.30150 -1.0 2.0
   69    73    78    79   0.32350  1.0 3.0
   69    73    78    80   0.32350  1.0 3.0
   69    73    78    81   0.01700  1.0 1.0
   69    73    78    81  -0.23550 -1.0 2.0
   69    73    78    81   0.21350  1.0 3.0
   70    69    73    78   0.32350  1.0 3.0
   71    69    73    78   0.32350  1.0 3.0
   73    78    81    82   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   57    48    51    52   0.30150 -1.0 2.0
   57    48   -51    49   0.00000  1.0 1.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    62  -2.75650  1.0 1.0
   57    48    55    62  -1.18150 -1.0 2.0
   57    48    55    62   0.81900  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    53    49   0.42250  1.0 1.0
   40    33    53    49  -0.48100 -1.0 2.0
   40    33    53    49   0.35650  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    59  -0.84850  1.0 1.0
   40    33    53    59  -0.22800 -1.0 2.0
   40    33    53    59   0.29250  1.0 3.0
   40    44    47    50   0.63150 -1.0 2.0
   40    44    47    72   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    50    58   3.62500 -1.0 2.0
   44    47    72    68   3.62500 -1.0 2.0
   44    47    72    74   3.62500 -1.0 2.0
   47    50   -58    68   3.62500 -1.0 2.0
   47    72    74    75   0.00000  1.0 1.0
   47    72    74    76   0.00000  1.0 1.0
   47    72    74    77   0.00000  1.0 1.0
   50    47   -72    68   3.62500 -1.0 2.0
   50    47    72    74   3.62500 -1.0 2.0
   50    58   -68    72   3.62500 -1.0 2.0
   58    68   -72    47   3.62500 -1.0 2.0
   58    68    72    74   3.62500 -1.0 2.0
   68    72    74    75   0.00000  1.0 1.0
   68    72    74    76   0.00000  1.0 1.0
   68    72    74    77   0.00000  1.0 1.0
   72    47   -50    58   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    49    51    52  10.50000 -1.0 2.0
   53    51    49    45   1.00000 -1.0 2.0
   60    53    59    61  10.50000 -1.0 2.0
   56    62    55    48   1.00000 -1.0 2.0
   55    69    62    63  10.50000 -1.0 2.0
   50    72    47    44   4.00000 -1.0 2.0
   68    74    72    47   4.00000 -1.0 2.0
END
