* LIGAND DATABASE FILE (OPLS2005)
*
001     105   111    217    376     664
    1     0 S   NP   _N1_     1    29.02117    96.61496   -25.46402
    2     1 S   H    _HN1     2     1.02794   118.52243  -100.15220
    3     1 S   H    _H1_     3     1.02947    71.84299     1.34901
    4     1 S   H    _H2_     4     1.02827    35.26565   179.23408
    5     1 S   CT   _CA1     5     1.50121   125.42183   103.90057
    6     5 S   HC   _HA1     6     1.09574   105.16255    95.93462
    7     5 S   CO3  _C1_     7     1.53764   112.48836   -24.26919
    8     7 S   O2Z  _O11     8     1.26373   115.00599   -42.23795
    9     7 S   O2Z  _O12     9     1.26237   114.94021   136.80876
   10     5 S   CT   _CB1    10     1.53064   107.41070  -146.09959
   11    10 S   HC   HB11    11     1.09841   109.30683   -49.52458
   12    10 S   HC   HB12    12     1.09810   110.48181    67.06331
   13    10 S   CT   _CG1    13     1.53021   112.64902  -170.47042
   14    13 S   HC   HG11    14     1.09570   110.72821   -67.64237
   15    13 S   HC   HG12    15     1.09670   109.69695    51.60671
   16    13 S   C    _CD1    16     1.51812   112.00344   172.07704
   17    16 S   O    _OE1    17     1.22754   123.18587    12.32071
   18    16 S   N    _N2_    18     1.38645   111.82855  -167.68491
   19    18 S   H    _HN2    19     1.01578   118.98012     0.98397
   20    18 S   CT1  _CA2    20     1.46220   123.37012   176.29202
   21    20 S   HC   _HA2    21     1.09739   109.29182     7.07052
   22    20 S   C    _C2_    22     1.53668   108.80830  -108.41154
   23    22 S   O    _O2_    23     1.23079   122.24127  -148.73034
   24    20 S   CT   _CB2    32     1.53312   111.63849   129.08703
   25    24 S   HC   HB21    33     1.09535   110.01117    56.54597
   26    24 S   HC   HB22    34     1.09521   110.11999   175.58891
   27    22 S   N    _N3_    24     1.38312   113.85443    38.76433
   28    27 S   H    _HN3    25     1.01546   119.62149    -3.16521
   29    24 S   S    _SG2    35     1.82700   111.51108   -64.67449
   30    27 S   CT   _CA3    26     1.45287   123.30031   177.21962
   31    30 S   HC   HA31    27     1.09546   107.50282   -65.08250
   32    30 S   HC   HA32    28     1.09554   108.01261    51.38477
   33    29 S   CT   _C16    36     1.82633    99.49509  -176.80770
   34    33 S   HC   _H3_    37     1.09586   108.50991    46.14001
   35    30 S   CO3  _C3_    29     1.52981   114.02238   173.38823
   36    35 S   O2Z  _O31    30     1.26386   116.06746    -0.58316
   37    35 S   O2Z  _O32    31     1.26422   114.42324   179.47961
   38    33 S   CM   _C4_    38     1.49606   110.73125   -75.21555
   39    38 S   HC   _H38    39     1.08298   122.61286    73.85050
   40    38 S   CMA  _C5_    40     1.34636   114.08680  -106.70595
   41    40 S   OM   _O30    41     1.25857   132.78590   178.91863
   42    40 S   CT   _C27    42     1.56399   110.04500     2.10040
   43    33 S   CT   _C19    43     1.54966   117.69413   170.34754
   44    43 S   HC   _H54    44     1.10331   102.23860  -158.87300
   45    42 S   CT   _C26    54     1.57595   114.06779  -139.15175
   46    45 S   HC   _H61    55     1.09205   109.13696   -45.88307
   47    42 S   CT   _C32   102     1.54542   106.11803    96.26263
   48    47 S   HC   _H68   103     1.08702   112.98045  -164.10517
   49    47 S   HC   _H69   104     1.09200   111.38922    73.40977
   50    47 S   HC   _H70   105     1.09373   112.86521   -43.85741
   51    43 S   CT   _C22    45     1.54092   118.99616   -45.01395
   52    51 S   HC   _H57    46     1.09475   110.90152    73.18493
   53    45 S   OH   _O38    56     1.44562   108.37434    65.74270
   54    53 S   HO   _H71    57     0.97243   107.50009  -158.06617
   55    51 S   CT   _C14    47     1.54406   110.93342  -164.54897
   56    55 S   HC   _H47    48     1.09751   110.25480    52.09474
   57    55 S   HC   _H48    49     1.10008   106.59347   166.02065
   58    51 S   CT   _C30    98     1.54273   111.04092   -46.12260
   59    58 S   HC   _H62    99     1.09570   111.11905   -57.50868
   60    58 S   HC   _H63   100     1.09586   110.76835  -177.34804
   61    58 S   HC   _H64   101     1.09161   112.52749    63.64211
   62    55 S   CT   _C25    50     1.52361   118.90728   -75.33497
   63    62 S   HC   _H60    51     1.09627   103.28889  -166.33957
   64    62 S   CT   _C21    52     1.52604   121.86618    73.15254
   65    64 S   HC   _H56    53     1.09804   104.23273    91.95195
   66    64 S   CT   _C29    58     1.56472   103.10402  -155.84821
   67    66 S   CO4  _C9_    59     1.52679   101.60101    22.74880
   68    67 S   O    _O35    60     1.22243   126.17864   167.76231
   69    66 S   CT   _C13    62     1.56212   118.15884   143.38897
   70    69 S   HC   _H45    63     1.08843   115.65018     3.17922
   71    69 S   HC   _H46    64     1.09659   111.53184  -119.13606
   72    62 S   OS   _O37    61     1.42555   111.26601   -53.59582
   73    69 S   CT   _C18    65     1.54332   104.73045   123.21493
   74    73 S   HC   _H53    66     1.09254   112.55865   162.52997
   75    73 S   CT   _C11    67     1.54184   108.39952   -71.68199
   76    75 S   HC   _H41    68     1.09243   112.86701   -44.23337
   77    75 S   HC   _H42    69     1.09169   112.74144  -170.57669
   78    75 S   CO4  _C8_    70     1.50996    98.71373    73.15757
   79    78 S   O    _O34    71     1.22197   124.29496  -179.74512
   80    66 S   CT   _C28    72     1.60023   115.12705   -97.34436
   81    80 S   CT   _C12    73     1.53281   118.45747    69.56054
   82    81 S   HC   _H43    74     1.08976   109.80818   -24.66951
   83    81 S   HC   _H44    75     1.09776   110.73008  -138.24597
   84    73 S   CT   _C20    89     1.53843   101.72740    38.32020
   85    84 S   HC   _H55    90     1.09697   109.87942    56.78288
   86    81 S   CT   _C17    76     1.53809   114.04480    97.99179
   87    86 S   HC   _H52    77     1.09431   110.31217   -45.41834
   88    86 S   CM   _C6_    78     1.49051   111.78088  -167.60548
   89    88 S   CO4  _C7_    79     1.47217   109.63960  -102.63757
   90    89 S   O    _O33    80     1.21722   127.11462   170.85763
   91    88 S   CM   _C10    95     1.33583   127.97160    79.24491
   92    91 S   HC   _H39    96     1.08523   120.71190    -1.04904
   93    91 S   HC   _H40    97     1.08506   121.75251   178.95770
   94    89 S   OS   _O36    81     1.36039   106.88759    -8.26909
   95    86 S   CT   _C24    82     1.52781   114.64874    78.97125
   96    95 S   HC   _H59    83     1.09763   110.24834  -148.47439
   97    95 S   CT   _C15    84     1.52721   116.76696   -22.73533
   98    97 S   HC   _H49    85     1.09922   108.27425   175.82740
   99    97 S   HC   _H50    86     1.09767   109.64617    63.98666
  100    97 S   CT   _C23    87     1.53282   116.47302   -60.59991
  101   100 S   HC   _H58    88     1.09571   105.79105   169.35404
  102   100 S   CT   _C31    91     1.53661   110.42292   -77.28626
  103   102 S   HC   _H65    92     1.09495   111.58219    64.56505
  104   102 S   HC   _H66    93     1.09528   110.83104   -55.74597
  105   102 S   HC   _H67    94     1.09506   110.84640  -175.05129
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  18   7   6   2
   1   1  12   8   5   1  13   6   5   4   2   1   1   9   5  13
   5  19  10   3  14   6   5   1  14   8   9   5   4   9   3  13
  14   6   5  12   4  14   7   9   8   3   4   1   1   6   7   4
   8   4   3   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    55    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    64    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    55    62    64    65    45    46    53    54    66    58    47    48    49    50  
   44    51    52    55    56    57    62    64    45    46    53    58    59    60    61    47    48    49    50  
   51    52    55    45    58    47  
   46    53    54    66    67    72    69    80    47    48    49    50    51    55    62    63    64    65  
   53    54    66    47    62    64    65  
   48    49    50    51    53    64  
   49    50  
   50  
    0  
   52    55    56    57    62    63    64    72    58    59    60    61  
   55    56    57    62    58    59    60    61  
   54    66    62    64    65  
   64  
   56    57    62    63    64    65    66    67    72    58    59    60    61  
   57    62    63    64    72    58  
   62    63    64    72    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    72    69    80  
   64    65    66    67    72  
   65    66    67    68    72    69    70    71    73    78    80    81    84  
   66    67    72    69    80  
   67    68    72    69    70    71    73    74    75    78    79    80    81    82    83    86   100    84    85  
   68    72    69    70    71    73    78    80    81    84  
   72    69    80  
   70    71    73    74    75    76    77    78    80    81   100    84    85    72  
   71    73    74    75    80    84  
   73    74    75    80    84  
   80  
   74    75    76    77    78    79    80    81    97   100   101    84    85   102  
   75    76    77    78    80   100    84    85  
   76    77    78    79    80    81   100    84    85  
   77    78    79    80    84  
   78    79    80    84  
   79    80    81    82    83    86   100    84    85  
   80    81    84  
   81    82    83    86    87    88    95    97   100   101    84    85   102  
   82    83    86    87    88    89    94    95    96    97   100    84    85    91  
   83    86    87    88    95    84  
   86    87    88    95    84  
   85   102   103   104   105    86    95    97    98    99   100   101  
  102    97   100   101  
   87    88    89    90    94    95    96    97    98    99   100    91    92    93  
   88    89    94    95    96    97    91  
   89    90    94    95    96    97    91    92    93  
   90    94    95    96    97    91    92    93  
   94    95    91  
   92    93    94    95  
   93  
    0  
   95    96    97    98    99   100  
   96    97    98    99   100   101   102  
   97    98    99   100  
   98    99   100   101   102   103   104   105  
   99   100   101   102  
  100   101   102  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105  
  104   105  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   95   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   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   317.000  1.510
   33    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    72   320.000  1.410
   64    65   340.000  1.090
   64    45   268.000  1.529
   64    66   268.000  1.529
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    54   553.000  0.945
   66    67   317.000  1.522
   66    69   268.000  1.529
   66    80   268.000  1.529
   67    68   570.000  1.229
   67    72   214.000  1.327
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    84   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   268.000  1.529
   80    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   268.000  1.529
   86    87   340.000  1.090
   86    88   317.000  1.510
   86    95   268.000  1.529
   88    89   320.000  1.462
   88    91   549.000  1.340
   89    90   570.000  1.229
   89    94   214.000  1.327
   94    95   320.000  1.410
   95    96   340.000  1.090
   95    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100    84   268.000  1.529
  100   102   268.000  1.529
   84    85   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   91    92   340.000  1.080
   91    93   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    64    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    55    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   55    51    52    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    58.35000  112.70000
   55    62    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    45    58.35000  112.70000
   62    64    66    58.35000  112.70000
   62    72    67    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    45    46    37.50000  110.70000
   64    45    53    50.00000  109.50000
   64    66    67    63.00000  111.10000
   64    66    69    58.35000  112.70000
   64    66    80    58.35000  112.70000
   45    42    43    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    53    54    55.00000  108.50000
   53    45    46    35.00000  109.50000
   66    64    65    37.50000  110.70000
   66    64    45    58.35000  112.70000
   66    67    68    80.00000  120.40000
   66    67    72    81.00000  111.40000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    73    58.35000  112.70000
   66    80    78    63.00000  111.10000
   66    80    81    58.35000  112.70000
   66    80    84    58.35000  112.70000
   72    62    63    35.00000  109.50000
   72    62    64    50.00000  109.50000
   72    67    68    83.00000  123.40000
   69    66    67    63.00000  111.10000
   69    73    74    37.50000  110.70000
   69    73    75    58.35000  112.70000
   69    73    84    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    63.00000  111.10000
   73    84    80    58.35000  112.70000
   73    84   100    58.35000  112.70000
   73    84    85    37.50000  110.70000
   75    73    74    37.50000  110.70000
   75    78    79    80.00000  120.40000
   75    78    80    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    63.00000  111.10000
   78    80    84    63.00000  111.10000
   80    66    67    63.00000  111.10000
   80    66    69    58.35000  112.70000
   80    78    79    80.00000  120.40000
   80    81    82    37.50000  110.70000
   80    81    83    37.50000  110.70000
   80    81    86    58.35000  112.70000
   80    84   100    58.35000  112.70000
   80    84    85    37.50000  110.70000
   81    86    87    37.50000  110.70000
   81    86    88    70.00000  112.02700
   81    86    95    58.35000  112.70000
   83    81    82    33.00000  107.80000
   86    81    82    37.50000  110.70000
   86    81    83    37.50000  110.70000
   86    88    89    65.00000  116.34900
   86    88    91    70.00000  124.00000
   86    95    94    50.00000  109.50000
   86    95    96    37.50000  110.70000
   86    95    97    58.35000  112.70000
   88    86    87    35.00000  109.50000
   88    89    90    80.00000  123.72100
   88    89    94    90.00000  111.29400
   88    91    92    35.00000  120.00000
   88    91    93    35.00000  120.00000
   89    94    95    83.00000  116.90000
   94    89    90    83.00000  123.40000
   94    95    96    35.00000  109.50000
   94    95    97    50.00000  109.50000
   95    86    87    37.50000  110.70000
   95    86    88    70.00000  112.02700
   95    97    98    37.50000  110.70000
   95    97    99    37.50000  110.70000
   95    97   100    58.35000  112.70000
   97    95    96    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100    84    58.35000  112.70000
   97   100   102    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100    84    85    37.50000  110.70000
  100   102   103    37.50000  110.70000
  100   102   104    37.50000  110.70000
  100   102   105    37.50000  110.70000
   84    73    74    37.50000  110.70000
   84    73    75    58.35000  112.70000
   84    80    81    58.35000  112.70000
   84   100   101    37.50000  110.70000
  102   100   101    37.50000  110.70000
  102   100    84    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   91    88    89    65.00000  118.96000
   93    91    92    35.00000  117.00000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   78    80    81    82  -0.11250  1.0 3.0
   78    80    81    83  -0.11250  1.0 3.0
   78    80    81    86  -0.95700  1.0 1.0
   78    80    81    86  -0.18200 -1.0 2.0
   78    80    81    86   0.29450  1.0 3.0
   78    80   -84    73  -0.95700  1.0 1.0
   78    80   -84    73  -0.18200 -1.0 2.0
   78    80   -84    73   0.29450  1.0 3.0
   78    80    84   100  -0.95700  1.0 1.0
   78    80    84   100  -0.18200 -1.0 2.0
   78    80    84   100   0.29450  1.0 3.0
   78    80    84    85  -0.11250  1.0 3.0
   79    78    80    66   0.30150 -1.0 2.0
   79    78    80    81   0.30150 -1.0 2.0
   79    78    80    84   0.30150 -1.0 2.0
   80    66    67    68   0.30150 -1.0 2.0
   80    66    67    72   0.36750  1.0 3.0
   80    66    69    70   0.15000  1.0 3.0
   80    66    69    71   0.15000  1.0 3.0
   80    66   -69    73   0.56750  1.0 1.0
   80    66   -69    73  -0.07550 -1.0 2.0
   80    66   -69    73   0.20000  1.0 3.0
   80    81    86    87   0.15000  1.0 3.0
   80    81    86    88   0.34400  1.0 1.0
   80    81    86    88   0.09450 -1.0 2.0
   80    81    86    88   0.11100  1.0 3.0
   80    81    86    95   0.56750  1.0 1.0
   80    81    86    95  -0.07550 -1.0 2.0
   80    81    86    95   0.20000  1.0 3.0
   81    80    84    73   0.56750  1.0 1.0
   81    80    84    73  -0.07550 -1.0 2.0
   81    80    84    73   0.20000  1.0 3.0
   81    80    84   100   0.56750  1.0 1.0
   81    80    84   100  -0.07550 -1.0 2.0
   81    80    84   100   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    86    88    89   0.09700  1.0 1.0
   81    86    88    89   0.15600 -1.0 2.0
   81    86    88    89  -0.50800  1.0 3.0
   81    86    88    91   0.09850  1.0 1.0
   81    86    88    91   0.15250 -1.0 2.0
   81    86    88    91  -0.50650  1.0 3.0
   81    86    95    94   0.62750  1.0 1.0
   81    86    95    94  -0.30950 -1.0 2.0
   81    86    95    94   0.27300  1.0 3.0
   81    86    95    96   0.15000  1.0 3.0
   81    86    95    97   0.56750  1.0 1.0
   81    86    95    97  -0.07550 -1.0 2.0
   81    86    95    97   0.20000  1.0 3.0
   82    81    86    87   0.15000  1.0 3.0
   82    81    86    88   0.15000  1.0 3.0
   82    81    86    95   0.15000  1.0 3.0
   83    81    86    87   0.15000  1.0 3.0
   83    81    86    88   0.15000  1.0 3.0
   83    81    86    95   0.15000  1.0 3.0
   86    88    89    90  -0.64400  1.0 1.0
   86    88    89    90   0.26850 -1.0 2.0
   86    88   -89    94  -0.15000  1.0 1.0
   86    88   -89    94   0.89550 -1.0 2.0
   86    88   -89    94  -0.06900  1.0 3.0
   86    88    91    92   7.00000 -1.0 2.0
   86    88    91    93   7.00000 -1.0 2.0
   86    95    97    98   0.15000  1.0 3.0
   86    95    97    99   0.15000  1.0 3.0
   86    95    97   100   0.56750  1.0 1.0
   86    95    97   100  -0.07550 -1.0 2.0
   86    95    97   100   0.20000  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    91   0.00000  1.0 1.0
   87    86    95    94   0.23400  1.0 3.0
   87    86    95    96   0.15000  1.0 3.0
   87    86    95    97   0.15000  1.0 3.0
   88    86   -95    94   0.61850  1.0 1.0
   88    86   -95    94  -0.22750 -1.0 2.0
   88    86   -95    94   0.15300  1.0 3.0
   88    86    95    96   0.15000  1.0 3.0
   88    86    95    97   0.34400  1.0 1.0
   88    86    95    97   0.09450 -1.0 2.0
   88    86    95    97   0.11100  1.0 3.0
   88    89   -94    95   2.00000 -1.0 2.0
   89    88    91    92   7.00000 -1.0 2.0
   89    88    91    93   7.00000 -1.0 2.0
   89    94   -95    86  -0.25900  1.0 1.0
   89    94   -95    86  -0.47000 -1.0 2.0
   89    94   -95    86   0.11750  1.0 3.0
   89    94    95    96   0.08050  1.0 3.0
   89    94    95    97  -0.25900  1.0 1.0
   89    94    95    97  -0.47000 -1.0 2.0
   89    94    95    97   0.11750  1.0 3.0
   90    89    94    95   3.00000 -1.0 2.0
   94    95    97    98   0.23400  1.0 3.0
   94    95    97    99   0.23400  1.0 3.0
   94    95    97   100   0.62750  1.0 1.0
   94    95    97   100  -0.30950 -1.0 2.0
   94    95    97   100   0.27300  1.0 3.0
   95    86   -88    89   0.09700  1.0 1.0
   95    86   -88    89   0.15600 -1.0 2.0
   95    86   -88    89  -0.50800  1.0 3.0
   95    86    88    91   0.09850  1.0 1.0
   95    86    88    91   0.15250 -1.0 2.0
   95    86    88    91  -0.50650  1.0 3.0
   95    97   100   101   0.15000  1.0 3.0
   95    97   100    84   0.56750  1.0 1.0
   95    97   100    84  -0.07550 -1.0 2.0
   95    97   100    84   0.20000  1.0 3.0
   95    97   100   102   0.56750  1.0 1.0
   95    97   100   102  -0.07550 -1.0 2.0
   95    97   100   102   0.20000  1.0 3.0
   96    95    97    98   0.15000  1.0 3.0
   96    95    97    99   0.15000  1.0 3.0
   96    95    97   100   0.15000  1.0 3.0
   97   100    84    73   0.56750  1.0 1.0
   97   100    84    73  -0.07550 -1.0 2.0
   97   100    84    73   0.20000  1.0 3.0
   97   100    84    80   0.56750  1.0 1.0
   97   100    84    80  -0.07550 -1.0 2.0
   97   100    84    80   0.20000  1.0 3.0
   97   100    84    85   0.15000  1.0 3.0
   97   100   102   103   0.15000  1.0 3.0
   97   100   102   104   0.15000  1.0 3.0
   97   100   102   105   0.15000  1.0 3.0
   98    97   100   101   0.15000  1.0 3.0
   98    97   100    84   0.15000  1.0 3.0
   98    97   100   102   0.15000  1.0 3.0
   99    97   100   101   0.15000  1.0 3.0
   99    97   100    84   0.15000  1.0 3.0
   99    97   100   102   0.15000  1.0 3.0
  101   100    84    73   0.15000  1.0 3.0
  101   100    84    80   0.15000  1.0 3.0
  101   100    84    85   0.15000  1.0 3.0
  101   100   102   103   0.15000  1.0 3.0
  101   100   102   104   0.15000  1.0 3.0
  101   100   102   105   0.15000  1.0 3.0
   84    73    75    76   0.15000  1.0 3.0
   84    73    75    77   0.15000  1.0 3.0
   84    73   -75    78  -0.95700  1.0 1.0
   84    73   -75    78  -0.18200 -1.0 2.0
   84    73   -75    78   0.29450  1.0 3.0
   84    80    81    82   0.15000  1.0 3.0
   84    80    81    83   0.15000  1.0 3.0
   84    80    81    86   0.56750  1.0 1.0
   84    80    81    86  -0.07550 -1.0 2.0
   84    80    81    86   0.20000  1.0 3.0
   84   100   102   103   0.15000  1.0 3.0
   84   100   102   104   0.15000  1.0 3.0
   84   100   102   105   0.15000  1.0 3.0
  102   100    84    73   0.56750  1.0 1.0
  102   100    84    73  -0.07550 -1.0 2.0
  102   100    84    73   0.20000  1.0 3.0
  102   100    84    80   0.56750  1.0 1.0
  102   100    84    80  -0.07550 -1.0 2.0
  102   100    84    80   0.20000  1.0 3.0
  102   100    84    85   0.15000  1.0 3.0
   91    88    89    90   1.00000 -1.0 2.0
   91    88    89    94  -0.56150  1.0 1.0
   91    88    89    94   2.19150 -1.0 2.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    62   0.56750  1.0 1.0
   58    51    55    62  -0.07550 -1.0 2.0
   58    51    55    62   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    64   0.56750  1.0 1.0
   47    42    45    64  -0.07550 -1.0 2.0
   47    42    45    64   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.86500  1.0 1.0
   47    42    45    53  -0.17500 -1.0 2.0
   47    42    45    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   66    72    67    68  10.50000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   86    89    88    91   1.10000 -1.0 2.0
   88    94    89    90  10.50000 -1.0 2.0
   92    93    91    88   1.10000 -1.0 2.0
END
