* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    168    267     498
    1     0 S   NP   _N1_     1    29.31199    99.56829   -21.12457
    2     1 S   H    _HN1     2     1.02946    55.87080    17.86475
    3     1 S   H    _H1_     3     1.02831    59.08968   162.83477
    4     1 S   H    _H2_     4     1.02785    96.32986   -90.09555
    5     1 S   CT   _CA1     5     1.50149   151.42098    86.55948
    6     5 S   HC   _HA1     6     1.09572   105.13370   122.30422
    7     5 S   CO3  _C1_     7     1.53752   112.44633     2.18319
    8     7 S   O2Z  _O11     8     1.26393   114.97802   -40.85025
    9     7 S   O2Z  _O12     9     1.26237   115.01391   138.14241
   10     5 S   CT   _CB1    10     1.53084   107.40030  -119.70724
   11    10 S   HC   HB11    11     1.09828   109.29921   -48.59786
   12    10 S   HC   HB12    12     1.09809   110.53025    68.06429
   13    10 S   CT   _CG1    13     1.52939   112.57912  -169.53480
   14    13 S   HC   HG11    14     1.09414   110.64838   -67.11685
   15    13 S   HC   HG12    15     1.09690   109.75284    51.92634
   16    13 S   C    _CD1    16     1.51822   112.32740   172.12775
   17    16 S   O    _OE1    17     1.22714   123.34015     5.41834
   18    16 S   N    _N2_    18     1.38548   111.50922  -173.81388
   19    18 S   H    _HN2    19     1.01634   118.87483    -0.54572
   20    18 S   CT1  _CA2    20     1.46277   123.70494   174.39129
   21    20 S   HC   _HA2    21     1.09746   109.23634     5.11213
   22    20 S   C    _C2_    22     1.53762   109.74623  -109.75255
   23    22 S   O    _O2_    23     1.23109   121.99099  -158.35091
   24    20 S   CT   _CB2    32     1.53207   110.44792   127.46638
   25    24 S   HC   HB21    33     1.09349   109.26144    41.44708
   26    24 S   HC   HB22    34     1.09414   111.64419   160.69694
   27    22 S   N    _N3_    24     1.38239   114.09183    29.19453
   28    27 S   H    _HN3    25     1.01531   119.30574    -3.04234
   29    24 S   S    _SG2    35     1.82853   110.92594   -80.56153
   30    27 S   CT   _CA3    26     1.45318   123.69697   175.67682
   31    30 S   HC   HA31    27     1.09522   107.15198   -80.32928
   32    30 S   HC   HA32    28     1.09491   108.81948    36.26745
   33    29 S   CT   _C18    36     1.86306   101.32239   143.21282
   34    33 S   OM   _O36    37     1.32106   109.11682   173.58167
   35    30 S   CO3  _C3_    29     1.52958   113.63962   159.45216
   36    35 S   O2Z  _O31    30     1.26394   115.92447    17.31596
   37    35 S   O2Z  _O32    31     1.26400   114.53686  -162.75744
   38    33 S   CT   _C19    38     1.58903   110.68654    55.38875
   39    38 S   HC   _H14    39     1.09890   107.01301   -61.61575
   40    33 S   OS   _O35    66     1.45100   111.54356   -60.94899
   41    38 S   CT   _C20    40     1.54781   115.71320    57.21092
   42    41 S   HC   _H15    41     1.09687   110.36274    62.13141
   43    41 S   HC   _H16    42     1.09463   110.96276   -56.24289
   44    40 S   CA   _C17    67     1.36807   125.69966   -63.52533
   45    41 S   CT   _C21    43     1.52903   111.90823  -176.74779
   46    45 S   HC   _H17    44     1.09773   109.20747    65.79021
   47    45 S   HC   _H18    45     1.09673   108.94104  -177.96731
   48    44 S   CA   _C16    68     1.39719   126.04683    -4.24621
   49    48 S   HA   _H13    69     1.08425   122.21924     1.98159
   50    45 S   CT   _C22    46     1.53291   111.98849   -56.26305
   51    50 S   HC   _H19    47     1.09855   108.46366   -62.61898
   52    48 S   CA   _C15    70     1.39949   120.78163  -177.20502
   53    52 S   HA   _H12    71     1.08662   119.70730   179.89165
   54    50 S   CT   _C23    48     1.53422   110.23106    55.73981
   55    54 S   HC   _H20    49     1.09608   110.32000  -176.61378
   56    54 S   HC   _H21    50     1.09726   109.92696    66.03791
   57    50 S   CT   _C25    54     1.53559   110.23065   178.98606
   58    57 S   HC   _H24    55     1.09533   109.70926    51.67917
   59    57 S   HC   _H25    56     1.09552   110.16898   -69.12844
   60    52 S   CA   _C14    72     1.39164   120.46206     0.38765
   61    60 S   HA   _H11    73     1.08614   120.14175   179.73166
   62    38 S   CT   _C24    51     1.55402   112.87522  -175.35341
   63    62 S   HC   _H22    52     1.09618   110.36348    54.56447
   64    62 S   HC   _H23    53     1.09687   110.36644   -63.46224
   65    57 S   NG   _N4_    57     1.47323   111.37903   170.40323
   66    65 S   H    _H26    58     1.01697   119.59597    -3.58343
   67    60 S   CA   _C13    74     1.39076   119.74290    -0.83509
   68    67 S   HA   _H10    75     1.08700   119.35485  -179.11884
   69    65 S   CG   _C26    59     1.38493   122.78229   176.24923
   70    44 S   CA   _C12    76     1.40672   115.95169   177.58662
   71    69 S   NG   _N6_    60     1.38030   119.19306  -179.48111
   72    71 S   H    _H29    61     1.01602   121.32794     0.04423
   73    71 S   H    _H30    62     1.01605   121.20908  -179.96044
   74    69 S   NG   _N5_    63     1.38004   121.76336     0.58249
   75    74 S   H    _H27    64     1.01604   121.03061  -179.96574
   76    74 S   H    _H28    65     1.01537   121.79361     0.25023
   77    70 S   CO4  _C11    77     1.47286   121.78200    -2.58278
   78    77 S   O    _O34    78     1.21933   123.70289   127.39285
   79    77 S   OS   _O33    79     1.35590   108.40898   -55.68179
   80    79 S   CT   _C10    80     1.43185   115.10352  -179.14248
   81    80 S   HC   _H8_    81     1.09689   110.06440    59.12678
   82    80 S   HC   _H9_    82     1.09683   109.77112   -60.12782
   83    80 S   CA   _C7_    83     1.50228   108.07565   179.32798
   84    83 S   CA   _C6_    84     1.40124   120.32173   -83.44735
   85    84 S   HA   _H5_    85     1.08724   120.36936    -0.80259
   86    84 S   CA   _C5_    86     1.39487   120.37954   179.20771
   87    86 S   HA   _H4_    87     1.08647   119.97567   179.84934
   88    86 S   CA   _C4_    88     1.39370   120.04528    -0.59479
   89    88 S   HA   _H3_    89     1.08623   119.95651  -179.48338
   90    88 S   CA   _C9_    90     1.39350   120.01379    -0.22900
   91    90 S   HA   _H7_    91     1.08611   119.97293  -179.23844
   92    83 S   CA   _C8_    92     1.40095   120.52348    94.58174
   93    92 S   HA   _H6_    93     1.08681   120.36042     0.72199
  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   8   5   4   3
  15   6   2   1   1  16   9   9  12   6   5  11  12   5   4   8
   4  13   8   6   3   9   5   4   8   4   3   5   3   2   1   1
   8   3   5   2   6   4   5   2   1   2   1   1   6   2   6   9
   4   3   9   8   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    62    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    45    54    62    63    64    40    44    48    70  
   38    39    41    62    40    44  
   36    37  
   37  
    0  
   39    41    42    43    45    46    47    50    54    55    56    62    63    64    40    44  
   41    42    43    45    54    62    63    64    40  
   44    48    49    52    67    70    77    41    62  
   42    43    45    46    47    50    51    54    62    63    64    57  
   43    45    46    47    50    62  
   45    46    47    50    62  
   48    49    52    53    60    67    68    70    77    78    79  
   46    47    50    51    54    55    56    62    57    58    59    65  
   47    50    51    54    57  
   50    51    54    57  
   49    52    53    60    61    67    70    77  
   52    53    60    70  
   51    54    55    56    62    63    64    57    58    59    65    66    69  
   54    55    56    62    57    58    59    65  
   53    60    61    67    68    70  
   60    61    67  
   55    56    62    63    64    57    58    59    65  
   56    62    63    64    57  
   62    63    64    57  
   58    59    65    66    69    71    74    62  
   59    65    66    69  
   65    66    69  
   61    67    68    70    77  
   67    68    70  
   63    64  
   64  
    0  
   66    69    71    72    73    74    75    76  
   69    71    74  
   68    70    77    78    79  
   70    77  
   71    72    73    74    75    76  
   77    78    79    80  
   72    73    74    75    76  
   73    74  
   74  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80  
   80    81    82    83    84    92  
   81    82    83    84    85    86    90    92    93  
   82    83    84    92  
   83    84    92  
   84    85    86    87    88    90    91    92    93  
   85    86    87    88    89    90    92    93  
   86    87    88    92  
   87    88    89    90    91    92  
   88    89    90  
   89    90    91    92    93  
   90    91    92  
   91    92    93  
   92    93  
   93  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   72   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   75   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   76   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    62   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   337.000  1.463
   65    66   434.000  1.010
   65    69   481.000  1.340
   69    71   481.000  1.340
   69    74   481.000  1.340
   71    72   434.000  1.010
   71    73   434.000  1.010
   74    75   434.000  1.010
   74    76   434.000  1.010
   40    44   450.000  1.364
   44    48   469.000  1.400
   44    70   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    77   310.000  1.470
   77    78   570.000  1.229
   77    79   214.000  1.327
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   317.000  1.510
   83    84   469.000  1.400
   83    92   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    91   367.000  1.080
   90    92   469.000  1.400
   92    93   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    62    58.35000  112.70000
   33    40    44    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    62    54    58.35000  112.70000
   38    62    63    37.50000  110.70000
   38    62    64    37.50000  110.70000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    62    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    65    80.00000  111.20000
   54    50    51    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   56    54    55    33.00000  107.80000
   62    38    39    37.50000  110.70000
   62    38    41    58.35000  112.70000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   64    62    63    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    65    66    35.00000  118.40000
   57    65    69    50.00000  123.20000
   59    57    58    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    59    35.00000  109.50000
   65    69    71    70.00000  120.00000
   65    69    74    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    35.00000  120.00000
   69    74    75    35.00000  120.00000
   69    74    76    35.00000  120.00000
   73    71    72    35.00000  120.00000
   74    69    71    70.00000  120.00000
   76    74    75    35.00000  120.00000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    44    48    70.00000  120.00000
   40    44    70    70.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    70    67    63.00000  120.00000
   44    70    77    60.00000  119.52600
   48    52    53    35.00000  120.00000
   48    52    60    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    67    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    67    68    35.00000  120.00000
   60    67    70    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    77    60.00000  119.52600
   70    44    48    63.00000  120.00000
   70    67    68    35.00000  120.00000
   70    77    78    75.00000  123.78400
   70    77    79    81.00000  111.40000
   77    79    80    83.00000  116.90000
   79    77    78    83.00000  123.40000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    85.00000  111.85700
   80    83    84    70.00000  120.00000
   80    83    92    70.00000  120.00000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   83    84    85    35.00000  120.00000
   83    84    86    63.00000  120.00000
   83    92    90    63.00000  120.00000
   83    92    93    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    63.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    90    63.00000  120.00000
   88    86    87    35.00000  120.00000
   88    90    91    35.00000  120.00000
   88    90    92    63.00000  120.00000
   90    88    89    35.00000  120.00000
   90    92    93    35.00000  120.00000
   92    83    84    63.00000  120.00000
   92    90    91    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    62   0.44750  1.0 1.0
   29    33    38    62  -0.17800 -1.0 2.0
   29    33    38    62   0.20200  1.0 3.0
   29    33    40    44   0.14700  1.0 1.0
   29    33    40    44  -1.16150 -1.0 2.0
   29    33    40    44   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    62    54   0.56750  1.0 1.0
   33    38    62    54  -0.07550 -1.0 2.0
   33    38    62    54   0.20000  1.0 3.0
   33    38    62    63   0.15000  1.0 3.0
   33    38    62    64   0.15000  1.0 3.0
   33    40    44    48   1.63200 -1.0 2.0
   33    40    44    70   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    62   0.62750  1.0 1.0
   34    33    38    62  -0.30950 -1.0 2.0
   34    33    38    62   0.27300  1.0 3.0
   34    33    40    44  -0.25600  1.0 1.0
   34    33    40    44  -0.40050 -1.0 2.0
   34    33    40    44   0.34700  1.0 3.0
   38    33    40    44  -0.32850  1.0 1.0
   38    33    40    44  -0.35800 -1.0 2.0
   38    33    40    44   0.33950  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    50   0.56750  1.0 1.0
   38    41    45    50  -0.07550 -1.0 2.0
   38    41    45    50   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    62    54   0.15000  1.0 3.0
   39    38    62    63   0.15000  1.0 3.0
   39    38    62    64   0.15000  1.0 3.0
   41    38    62    54   0.56750  1.0 1.0
   41    38    62    54  -0.07550 -1.0 2.0
   41    38    62    54   0.20000  1.0 3.0
   41    38    62    63   0.15000  1.0 3.0
   41    38    62    64   0.15000  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45   -50    54   0.56750  1.0 1.0
   41    45   -50    54  -0.07550 -1.0 2.0
   41    45   -50    54   0.20000  1.0 3.0
   41    45    50    57   0.56750  1.0 1.0
   41    45    50    57  -0.07550 -1.0 2.0
   41    45    50    57   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    50   0.15000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    62   0.56750  1.0 1.0
   45    50    54    62  -0.07550 -1.0 2.0
   45    50    54    62   0.20000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    65   1.34550  1.0 1.0
   45    50    57    65  -0.31050 -1.0 2.0
   45    50    57    65   0.95500  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   50    54   -62    38   0.56750  1.0 1.0
   50    54   -62    38  -0.07550 -1.0 2.0
   50    54   -62    38   0.20000  1.0 3.0
   50    54    62    63   0.15000  1.0 3.0
   50    54    62    64   0.15000  1.0 3.0
   50    57    65    66  -0.09500  1.0 1.0
   50    57    65    66  -0.20850 -1.0 2.0
   50    57    65    66   0.20900  1.0 3.0
   50    57    65    69   0.25550 -1.0 2.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    62   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    65  -0.29100  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    59   0.15000  1.0 3.0
   54    50    57    65   1.34550  1.0 1.0
   54    50    57    65  -0.31050 -1.0 2.0
   54    50    57    65   0.95500  1.0 3.0
   55    54    62    38   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   56    54    62    38   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   62    38    41    42   0.15000  1.0 3.0
   62    38    41    43   0.15000  1.0 3.0
   62    38   -41    45   0.56750  1.0 1.0
   62    38   -41    45  -0.07550 -1.0 2.0
   62    38   -41    45   0.20000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    62   0.56750  1.0 1.0
   57    50    54    62  -0.07550 -1.0 2.0
   57    50    54    62   0.20000  1.0 3.0
   57    65    69    71   3.96800 -1.0 2.0
   57    65    69    74   3.96800 -1.0 2.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    69   0.08850  1.0 3.0
   59    57    65    66   0.00000  1.0 1.0
   59    57    65    69   0.08850  1.0 3.0
   65    69    71    72   1.50000 -1.0 2.0
   65    69    71    73   1.50000 -1.0 2.0
   65    69    74    75   1.50000 -1.0 2.0
   65    69    74    76   1.50000 -1.0 2.0
   66    65    69    71   1.50000 -1.0 2.0
   66    65    69    74   1.50000 -1.0 2.0
   71    69    74    75   1.50000 -1.0 2.0
   71    69    74    76   1.50000 -1.0 2.0
   74    69    71    72   1.50000 -1.0 2.0
   74    69    71    73   1.50000 -1.0 2.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    62   0.62750  1.0 1.0
   40    33    38    62  -0.30950 -1.0 2.0
   40    33    38    62   0.27300  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    52   3.62500 -1.0 2.0
   40    44    70    67   3.62500 -1.0 2.0
   40    44    70    77   3.62500 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    60   3.62500 -1.0 2.0
   44    70    77    78   1.05000 -1.0 2.0
   44    70    77    79   0.98750 -1.0 2.0
   48    44    70    67   3.62500 -1.0 2.0
   48    44    70    77   3.62500 -1.0 2.0
   48    52    60    61   3.62500 -1.0 2.0
   48    52   -60    67   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    60   3.62500 -1.0 2.0
   52    60    67    68   3.62500 -1.0 2.0
   52    60    67    70   3.62500 -1.0 2.0
   53    52    60    61   3.62500 -1.0 2.0
   53    52    60    67   3.62500 -1.0 2.0
   60    67   -70    44   3.62500 -1.0 2.0
   60    67    70    77   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   67    70    77    78   1.05000 -1.0 2.0
   67    70    77    79   0.98750 -1.0 2.0
   68    67    70    44   3.62500 -1.0 2.0
   68    67    70    77   3.62500 -1.0 2.0
   70    44    48    49   3.62500 -1.0 2.0
   70    44   -48    52   3.62500 -1.0 2.0
   70    77    79    80   0.59950  1.0 1.0
   70    77    79    80   3.24850 -1.0 2.0
   77    79    80    81   0.08050  1.0 3.0
   77    79    80    82   0.08050  1.0 3.0
   77    79    80    83  -0.43900 -1.0 2.0
   77    79    80    83   0.14100  1.0 3.0
   78    77    79    80   3.00000 -1.0 2.0
   79    80    83    84   0.64500  1.0 1.0
   79    80    83    84   0.14800 -1.0 2.0
   79    80    83    84   0.20650  1.0 3.0
   79    80    83    92   0.64500  1.0 1.0
   79    80    83    92   0.14800 -1.0 2.0
   79    80    83    92   0.20650  1.0 3.0
   80    83    84    85   3.62500 -1.0 2.0
   80    83    84    86   3.62500 -1.0 2.0
   80    83    92    90   3.62500 -1.0 2.0
   80    83    92    93   3.62500 -1.0 2.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    92   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   82    80    83    92   0.00000  1.0 1.0
   83    84    86    87   3.62500 -1.0 2.0
   83    84    86    88   3.62500 -1.0 2.0
   84    83    92    90   3.62500 -1.0 2.0
   84    83    92    93   3.62500 -1.0 2.0
   84    86    88    89   3.62500 -1.0 2.0
   84    86   -88    90   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88    90    91   3.62500 -1.0 2.0
   86    88    90    92   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   87    86    88    90   3.62500 -1.0 2.0
   88    90   -92    83   3.62500 -1.0 2.0
   88    90    92    93   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   89    88    90    92   3.62500 -1.0 2.0
   91    90    92    83   3.62500 -1.0 2.0
   91    90    92    93   3.62500 -1.0 2.0
   92    83    84    85   3.62500 -1.0 2.0
   92    83   -84    86   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
   36    30    35    37  10.50000 -1.0 2.0
   66    69    65    57   1.00000 -1.0 2.0
   65    71    69    74  10.50000 -1.0 2.0
   73    69    71    72   1.00000 -1.0 2.0
   75    76    74    69   1.00000 -1.0 2.0
   48    70    44    40   4.00000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   60    53    52    48   1.10000 -1.0 2.0
   67    61    60    52   1.10000 -1.0 2.0
   70    68    67    60   1.10000 -1.0 2.0
   67    77    70    44   4.00000 -1.0 2.0
   70    79    77    78  10.50000 -1.0 2.0
   84    92    83    80   4.00000 -1.0 2.0
   86    85    84    83   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   90    89    88    86   1.10000 -1.0 2.0
   92    91    90    88   1.10000 -1.0 2.0
   90    93    92    83   1.10000 -1.0 2.0
END
