* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    200    331     602
    1     0 S   NP   _N1_     1    28.74673    96.52705   -21.66399
    2     1 S   H    _HN1     2     1.02787    95.22898   -95.15731
    3     1 S   H    _H1_     3     1.02948    73.29693    12.48015
    4     1 S   H    _H2_     4     1.02828    42.45734   153.92628
    5     1 S   CT   _CA1     5     1.50115   148.29857   114.41688
    6     5 S   HC   _HA1     6     1.09573   105.18314    86.57944
    7     5 S   CO3  _C1_     7     1.53784   112.49202   -33.64567
    8     7 S   O2Z  _O11     8     1.26373   115.00234   -41.88470
    9     7 S   O2Z  _O12     9     1.26241   114.94880   137.22978
   10     5 S   CT   _CB1    10     1.53076   107.41941  -155.42799
   11    10 S   HC   HB11    11     1.09834   109.36029   -49.54805
   12    10 S   HC   HB12    12     1.09812   110.45381    67.06207
   13    10 S   CT   _CG1    13     1.52993   112.61221  -170.51287
   14    13 S   HC   HG11    14     1.09579   110.66076   -66.25279
   15    13 S   HC   HG12    15     1.09671   109.75608    52.98215
   16    13 S   C    _CD1    16     1.51800   112.18453   173.44788
   17    16 S   O    _OE1    17     1.22732   123.27531     8.54475
   18    16 S   N    _N2_    18     1.38653   111.69786  -171.56110
   19    18 S   H    _HN2    19     1.01576   118.91874     1.71029
   20    18 S   CT1  _CA2    20     1.46207   123.39152   177.16027
   21    20 S   HC   _HA2    21     1.09738   109.39073     3.99915
   22    20 S   C    _C2_    22     1.53594   108.56326  -111.49439
   23    22 S   O    _O2_    23     1.23063   122.26977  -147.43676
   24    20 S   CT   _CB2    32     1.53481   111.62451   126.08767
   25    24 S   HC   HB21    33     1.09445   109.43925    56.02164
   26    24 S   HC   HB22    34     1.09328   109.64752   175.02492
   27    22 S   N    _N3_    24     1.38321   113.73202    39.95657
   28    27 S   H    _HN3    25     1.01575   119.60755    -3.16149
   29    24 S   S    _SG2    35     1.82665   111.21846   -64.70312
   30    27 S   CT   _CA3    26     1.45289   123.23966   177.21920
   31    30 S   HC   HA31    27     1.09548   107.49886   -64.99754
   32    30 S   HC   HA32    28     1.09556   108.00429    51.45201
   33    29 S   CT   _C22    36     1.88222   102.14118  -175.86407
   34    30 S   CO3  _C3_    29     1.52969   114.05983   173.46028
   35    34 S   O2Z  _O31    30     1.26380   116.06652    -0.60101
   36    34 S   O2Z  _O32    31     1.26426   114.41635   179.46259
   37    33 S   CM   _C5_    37     1.50130   104.98746   175.92206
   38    37 S   CM   _C4_    38     1.33916   125.68774   108.72231
   39    38 S   HC   _H38    39     1.08507   118.05500   179.47810
   40    37 S   OS   _O30    95     1.39166   112.99579   -79.29736
   41    38 S   CT   _C21    40     1.52201   122.43751     3.45870
   42    40 S   CO4  _C6_    96     1.37027   104.00086   -22.14903
   43    42 S   O    _O26    97     1.22291   124.01706  -178.40149
   44    41 S   CT   _C14    41     1.57767   106.42888    30.84249
   45    44 S   HC   _H46    42     1.10192   107.22464    59.62642
   46    41 S   CT   _C27    91     1.54361   106.50127   -88.07376
   47    46 S   HC   _H59    92     1.08949   112.91111   178.81353
   48    46 S   HC   _H60    93     1.09449   112.08454    59.65307
   49    46 S   HC   _H61    94     1.09274   112.56611   -57.90501
   50    33 S   CT   _C10    98     1.51852   110.75746    72.80365
   51    50 S   HC   _H39    99     1.09238   114.04254   -41.61203
   52    50 S   HC   _H40   100     1.09635   112.59860  -166.87384
   53    44 S   CT   _C11    43     1.54214   110.47703   175.76109
   54    53 S   HC   _H41    44     1.09476   111.02525    61.14653
   55    53 S   HC   _H42    45     1.09476   109.85693   178.97416
   56    33 S   CT   _C17    85     1.56356   111.00174   -59.69463
   57    56 S   HC   _H49    86     1.09778   109.19868   -14.76596
   58    53 S   CT   _C18    46     1.52711   111.32533   -62.46253
   59    58 S   HC   _H50    47     1.09746   108.01523   179.62154
   60    56 S   CT   _C26    87     1.54081   112.04681   101.93914
   61    60 S   HC   _H56    88     1.09492   111.52074    78.63845
   62    60 S   HC   _H57    89     1.09289   112.15244   -42.51732
   63    60 S   HC   _H58    90     1.09453   110.95295  -161.12774
   64    58 S   CT   _C24    48     1.52376   113.49583    56.46220
   65    58 S   OS   _O33    60     1.45934   106.37204   -67.49594
   66    64 S   CT   _C12    49     1.53372   114.92081    83.08599
   67    66 S   HC   _H43    50     1.08748   115.86604   -89.77051
   68    66 S   HC   _H44    51     1.09637   112.07220    33.86793
   69    41 S   CT   _C16    72     1.59625   109.67741   147.08665
   70    69 S   HC   _H48    73     1.09931   103.04962   -52.17178
   71    66 S   OS   _O34    52     1.44755   105.72773   150.01941
   72    71 S   CT   _C23    53     1.46098   108.26340   -10.24813
   73    64 S   CT   _C15    54     1.53293   106.87641  -170.34585
   74    73 S   HC   _H47    55     1.10488   108.86926   -57.03269
   75    72 S   CT   _C20    68     1.54265   106.66688    98.30877
   76    75 S   HC   _H52    69     1.09752   109.20030    67.01236
   77    72 S   CO4  _C8_    78     1.52555   104.36532  -140.14656
   78    77 S   O    _O28    79     1.22560   124.27964    20.41595
   79    73 S   CT   _C13    56     1.51679   112.77601    60.00286
   80    79 S   HC   _H45    57     1.09154   112.84666    64.78825
   81    75 S   CT   _C19    70     1.54606   111.73495   -53.47595
   82    81 S   HC   _H51    71     1.09525   108.51221  -161.17533
   83    75 S   OH   _O36    76     1.42493   111.93777  -174.52861
   84    83 S   HO   _H66    77     0.97338   107.69977   -59.21378
   85    77 S   OS   _O37    80     1.36404   110.88875  -160.61303
   86    79 S   CO4  _C7_    58     1.52224   109.85131   -54.46333
   87    86 S   O    _O27    59     1.22786   122.85626  -145.95169
   88    79 S   OS   _O38    61     1.43809   108.67246  -172.81914
   89    81 S   OH   _O35    74     1.42245   108.51001    83.26939
   90    89 S   HO   _H65    75     0.97239   107.95805    61.34975
   91    85 S   CT   _C28    81     1.43107   115.27169   179.12330
   92    91 S   HC   _H62    82     1.09323   108.06299  -177.58662
   93    91 S   HC   _H63    83     1.09411   110.17710    63.73365
   94    91 S   HC   _H64    84     1.09425   110.40801   -58.94683
   95    88 S   CO4  _C9_    62     1.36410   117.32163  -152.82542
   96    95 S   O    _O29    63     1.22324   126.42884     3.01915
   97    95 S   CT   _C25    64     1.49825   109.66934  -177.44189
   98    97 S   HC   _H53    65     1.09145   109.91115   -71.77996
   99    97 S   HC   _H54    66     1.09382   109.28510   168.64071
  100    97 S   HC   _H55    67     1.09325   109.99181    50.20360
  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  12   5   4   3
  19   2   1   1  15  17   5   7  22   5   3  22   9   9   3   2
   1   5   2   1  13   6   5   7   4  16   6   3   2   1   1  19
   8  12   5   4  13   5  11  17  14   6  11   6   9   2   7   4
   5   3   2   1   4   3   1   6   1   1   3   2   1   1   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    56    57    60    40    42    50    51    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    44    45    53    56    57    60    61    62    63    40    42    43    50    51    52  
   35    36  
   36  
    0  
   38    39    41    44    69    56    57    60    46    40    42    43    50    51    52  
   39    41    44    45    53    64    81    69    70    56    46    47    48    49    40    42    50  
   41    44    69    46    40  
   42    43    50    51    52    41    56  
   44    45    53    54    55    58    64    66    73    75    81    82    69    70    89    56    57    60    46    47    48    49  
   43    50    51    52    56  
   50    51    52  
   45    53    54    55    58    59    64    65    81    69    70    56    57    60    61    62    63    46    47    48    49    50  
   53    54    55    58    69    56    57    60    46  
   47    48    49    53    56    64    69    70    81  
   48    49    69  
   49    69  
   69  
   51    52    56    57    60  
   52    56  
   56  
   54    55    58    59    64    66    73    86    65    69    56    57    60  
   55    58    59    64    65    56  
   58    59    64    65    56  
   57    60    61    62    63    58    69  
   60    61    62    63  
   59    64    66    67    68    71    72    73    74    79    86    87    65    81    69    70  
   64    66    73    86    65    69  
   61    62    63  
   62    63  
   63  
    0  
   66    67    68    71    72    73    74    79    80    86    65    88    75    81    82    69    70    89    77  
   88    69    66    73    79    80    86    87  
   67    68    71    72    73    74    79    75    81    69    70    77  
   68    71    72    73    69  
   71    72    73    69  
   70    89    90    83    71    72    73    74    75    76    79    81    82  
   89    73    75    81    82  
   72    73    74    79    75    76    81    83    77    78    85  
   73    74    79    80    86    88    75    76    81    82    89    83    84    77    78    85    91  
   74    79    80    86    87    88    95    75    76    81    83    77    78    85  
   79    80    86    88    75    77  
   76    81    82    89    90    83    84    77    78    85    79  
   81    82    89    83    84    77  
   78    85    91    92    93    94    79    81    83  
   85    91  
   80    86    87    88    95    96    97  
   86    87    88    95  
   82    89    90    83    84  
   89    90    83  
   84    89  
    0  
   91    92    93    94  
   87    88    95  
   88  
   95    96    97    98    99   100  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    56   268.000  1.529
   33    50   268.000  1.529
   37    38   549.000  1.340
   37    40   440.000  1.360
   38    39   340.000  1.080
   38    41   317.000  1.510
   41    44   268.000  1.529
   41    69   268.000  1.529
   41    46   268.000  1.529
   44    45   340.000  1.090
   44    53   268.000  1.529
   44    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    65   320.000  1.410
   64    66   268.000  1.529
   64    73   268.000  1.529
   64    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   320.000  1.410
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    77   317.000  1.522
   73    74   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    86   317.000  1.522
   79    88   320.000  1.410
   86    87   570.000  1.229
   86    65   214.000  1.327
   88    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   75    76   340.000  1.090
   75    81   268.000  1.529
   75    83   320.000  1.410
   81    82   340.000  1.090
   81    69   268.000  1.529
   81    89   320.000  1.410
   69    70   340.000  1.090
   89    90   553.000  0.945
   83    84   553.000  0.945
   77    78   570.000  1.229
   77    85   214.000  1.327
   85    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    42   214.000  1.327
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    51   340.000  1.090
   50    52   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  112.20000
   29    33    56    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    85.00000  112.85300
   33    56    44    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   33    50    42    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    41    70.00000  124.00000
   37    40    42    90.00000  114.22900
   38    41    44    70.00000  112.02700
   38    41    69    70.00000  112.02700
   38    41    46    70.00000  112.02700
   41    38    39    35.00000  117.00000
   41    44    45    37.50000  110.70000
   41    44    53    58.35000  112.70000
   41    44    56    58.35000  112.70000
   41    69    64    58.35000  112.70000
   41    69    81    58.35000  112.70000
   41    69    70    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    58    58.35000  112.70000
   44    56    57    37.50000  110.70000
   44    56    60    58.35000  112.70000
   53    44    45    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    65    50.00000  109.50000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    66    58.35000  112.70000
   58    64    73    58.35000  112.70000
   58    64    69    58.35000  112.70000
   58    65    86    83.00000  116.90000
   64    58    59    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    71    50.00000  109.50000
   64    73    72    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    79    58.35000  112.70000
   64    69    81    58.35000  112.70000
   64    69    70    37.50000  110.70000
   66    71    72    60.00000  109.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    50.00000  109.50000
   71    72    75    50.00000  109.50000
   71    72    77    90.00000  108.74100
   72    73    74    37.50000  110.70000
   72    73    79    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    81    58.35000  112.70000
   72    75    83    50.00000  109.50000
   72    77    78    80.00000  120.40000
   72    77    85    81.00000  111.40000
   73    64    66    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    86    63.00000  111.10000
   73    79    88    50.00000  109.50000
   79    73    74    37.50000  110.70000
   79    86    87    80.00000  120.40000
   79    86    65    81.00000  111.40000
   79    88    95    83.00000  116.90000
   86    79    80    35.00000  109.50000
   65    58    59    35.00000  109.50000
   65    58    64    50.00000  109.50000
   65    86    87    83.00000  123.40000
   88    79    80    35.00000  109.50000
   88    79    86    90.00000  108.74100
   88    95    96    83.00000  123.40000
   88    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   97    95    96    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   75    72    73    58.35000  112.70000
   75    81    82    37.50000  110.70000
   75    81    69    58.35000  112.70000
   75    81    89    50.00000  109.50000
   75    83    84    55.00000  108.50000
   81    75    76    37.50000  110.70000
   81    69    70    37.50000  110.70000
   81    89    90    55.00000  108.50000
   69    41    44    58.35000  112.70000
   69    64    66    58.35000  112.70000
   69    64    73    58.35000  112.70000
   69    81    82    37.50000  110.70000
   89    81    82    35.00000  109.50000
   89    81    69    50.00000  109.50000
   83    75    76    35.00000  109.50000
   83    75    81    50.00000  109.50000
   77    72    73    63.00000  111.10000
   77    72    75    63.00000  111.10000
   77    85    91    83.00000  116.90000
   85    77    78    83.00000  123.40000
   85    91    92    35.00000  109.50000
   85    91    93    35.00000  109.50000
   85    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   56    33    37    70.00000  112.02700
   56    44    45    37.50000  110.70000
   56    44    53    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   46    41    44    58.35000  112.70000
   46    41    69    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    37    38    80.00000  120.01400
   40    42    43    83.00000  123.40000
   40    42    50    81.00000  111.40000
   42    50    51    35.00000  109.50000
   42    50    52    35.00000  109.50000
   50    33    37    70.00000  112.02700
   50    33    56    58.35000  112.70000
   50    42    43    80.00000  120.40000
   52    50    51    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
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   83    75    81    69  -0.17500 -1.0 2.0
   83    75    81    69   0.20800  1.0 3.0
   83    75    81    89   3.75450  1.0 1.0
   77    72    73    64  -0.95700  1.0 1.0
   77    72    73    64  -0.18200 -1.0 2.0
   77    72    73    64   0.29450  1.0 3.0
   77    72    73    74  -0.11250  1.0 3.0
   77    72    73    79  -0.95700  1.0 1.0
   77    72    73    79  -0.18200 -1.0 2.0
   77    72    73    79   0.29450  1.0 3.0
   77    72    75    76  -0.11250  1.0 3.0
   77    72    75    81  -0.95700  1.0 1.0
   77    72    75    81  -0.18200 -1.0 2.0
   77    72    75    81   0.29450  1.0 3.0
   77    72    75    83  -0.09450  1.0 1.0
   77    72    75    83  -1.12950 -1.0 2.0
   77    72    75    83   0.54000  1.0 3.0
   77    85    91    92   0.08050  1.0 3.0
   77    85    91    93   0.08050  1.0 3.0
   77    85    91    94   0.08050  1.0 3.0
   78    77    85    91   3.00000 -1.0 2.0
   56    33   -37    38   0.09850  1.0 1.0
   56    33   -37    38   0.15250 -1.0 2.0
   56    33   -37    38  -0.50650  1.0 3.0
   56    33    37    40   0.09700  1.0 1.0
   56    33    37    40   0.15600 -1.0 2.0
   56    33    37    40  -0.50800  1.0 3.0
   56    33    50    42  -0.95700  1.0 1.0
   56    33    50    42  -0.18200 -1.0 2.0
   56    33    50    42   0.29450  1.0 3.0
   56    33    50    51   0.15000  1.0 3.0
   56    33    50    52   0.15000  1.0 3.0
   56    44    53    54   0.15000  1.0 3.0
   56    44    53    55   0.15000  1.0 3.0
   56    44    53    58   0.56750  1.0 1.0
   56    44    53    58  -0.07550 -1.0 2.0
   56    44    53    58   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   46    41    44    45   0.15000  1.0 3.0
   46    41    44    53   0.56750  1.0 1.0
   46    41    44    53  -0.07550 -1.0 2.0
   46    41    44    53   0.20000  1.0 3.0
   46    41    44    56   0.56750  1.0 1.0
   46    41    44    56  -0.07550 -1.0 2.0
   46    41    44    56   0.20000  1.0 3.0
   46    41    69    64   0.56750  1.0 1.0
   46    41    69    64  -0.07550 -1.0 2.0
   46    41    69    64   0.20000  1.0 3.0
   46    41    69    81   0.56750  1.0 1.0
   46    41    69    81  -0.07550 -1.0 2.0
   46    41    69    81   0.20000  1.0 3.0
   46    41    69    70   0.15000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    42   -50    33   0.36750  1.0 3.0
   40    42    50    51   0.00000  1.0 1.0
   40    42    50    52   0.00000  1.0 1.0
   43    42    50    33   0.30150 -1.0 2.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    52   0.00000  1.0 1.0
   50    33    37    38   0.09850  1.0 1.0
   50    33    37    38   0.15250 -1.0 2.0
   50    33    37    38  -0.50650  1.0 3.0
   50    33   -37    40   0.09700  1.0 1.0
   50    33   -37    40   0.15600 -1.0 2.0
   50    33   -37    40  -0.50800  1.0 3.0
   50    33    56    44   0.56750  1.0 1.0
   50    33    56    44  -0.07550 -1.0 2.0
   50    33    56    44   0.20000  1.0 3.0
   50    33    56    57   0.15000  1.0 3.0
   50    33    56    60   0.56750  1.0 1.0
   50    33    56    60  -0.07550 -1.0 2.0
   50    33    56    60   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   79    65    86    87  10.50000 -1.0 2.0
   88    97    95    96  10.50000 -1.0 2.0
   72    85    77    78  10.50000 -1.0 2.0
   40    50    42    43  10.50000 -1.0 2.0
END
