* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    214    341     641
    1     0 S   NP   _N1_     1    28.80036    96.45368   -23.62706
    2     1 S   H    _HN1     2     1.02951    70.93960    18.18353
    3     1 S   H    _H1_     3     1.02828    39.23552   174.27844
    4     1 S   H    _H2_     4     1.02784   105.52558   -86.29203
    5     1 S   CT   _CA1     5     1.50114   138.84675   117.68608
    6     5 S   HC   _HA1     6     1.09573   105.20123    93.60568
    7     5 S   CO3  _C1_     7     1.53793   112.45772   -26.63361
    8     7 S   O2Z  _O11     8     1.26372   115.00619   -42.51664
    9     7 S   O2Z  _O12     9     1.26241   114.94966   136.63299
   10     5 S   CT   _CB1    10     1.53084   107.42272  -148.40561
   11    10 S   HC   HB11    11     1.09832   109.38527   -49.74136
   12    10 S   HC   HB12    12     1.09813   110.43790    66.86758
   13    10 S   CT   _CG1    13     1.52987   112.60333  -170.72782
   14    13 S   HC   HG11    14     1.09584   110.61008   -65.25176
   15    13 S   HC   HG12    15     1.09669   109.81014    53.97751
   16    13 S   C    _CD1    16     1.51800   112.25838   174.43338
   17    16 S   O    _OE1    17     1.22732   123.30392     5.88083
   18    16 S   N    _N2_    18     1.38653   111.64697  -174.23510
   19    18 S   H    _HN2    19     1.01584   118.95755     1.67748
   20    18 S   CT1  _CA2    20     1.46173   123.36973   177.81959
   21    20 S   HC   _HA2    21     1.09741   109.36210     1.13263
   22    20 S   C    _C2_    22     1.53518   108.64047  -114.35180
   23    22 S   O    _O2_    23     1.23053   122.28142  -148.23158
   24    20 S   CT   _CB2    32     1.53302   111.58455   123.10858
   25    24 S   HC   HB21    33     1.09510   110.12284    56.65547
   26    24 S   HC   HB22    34     1.09529   110.06486   175.71011
   27    22 S   N    _N3_    24     1.38330   113.68074    39.24222
   28    27 S   H    _HN3    25     1.01594   119.57409    -3.40755
   29    24 S   S    _SG2    35     1.82811   111.47001   -64.72946
   30    27 S   CT   _CA3    26     1.45289   123.20393   177.08630
   31    30 S   HC   HA31    27     1.09549   107.52217   -64.28785
   32    30 S   HC   HA32    28     1.09557   107.96997    52.14590
   33    29 S   CT   _C19    36     1.84870    99.71204  -179.49140
   34    33 S   HC   _H3_    37     1.09321   106.19747    26.82085
   35    30 S   CO3  _C3_    29     1.52958   114.08435   174.14000
   36    35 S   O2Z  _O31    30     1.26376   116.06088    -0.44367
   37    35 S   O2Z  _O32    31     1.26428   114.41443   179.61285
   38    33 S   CT   _C11    38     1.53199   105.83231   -86.14522
   39    38 S   HC   _H41    39     1.09672   110.90606    56.58208
   40    38 S   HC   _H42    40     1.09601   112.71760   -64.50115
   41    38 S   CO4  _C6_    41     1.50261   109.94791   174.61832
   42    41 S   O    _O29    42     1.22860   122.26014  -141.71715
   43    41 S   CM   _C4_    43     1.47449   117.55987    42.91369
   44    43 S   HC   _H38    44     1.08488   116.27748   163.89583
   45    43 S   CM   _C5_    45     1.34318   121.30898   -11.61551
   46    45 S   CT   _C10    46     1.51266   118.12050   171.72293
   47    46 S   HC   _H39    47     1.09680   108.88886  -108.18222
   48    46 S   HC   _H40    48     1.09750   111.27047     7.69478
   49    46 S   CT   _C12    49     1.51977   113.29380   129.94442
   50    49 S   HC   _H43    50     1.09671   107.91692   171.91905
   51    49 S   HC   _H44    51     1.09651   109.78060   -73.04286
   52    49 S   CT   _C15    52     1.53777   112.09757    50.80790
   53    52 S   HC   _H49    53     1.09452   106.24051    64.02709
   54    52 S   CT   _C16    54     1.54206   110.70026  -179.35472
   55    54 S   HC   _H50    55     1.09956   107.06350    64.23624
   56    52 S   CT   _C23    68     1.58216   112.09240   -54.27425
   57    56 S   Cl   CL37    69     1.86091   107.20630   -61.02788
   58    54 S   CT   _C13    56     1.52246   118.46450   -54.47670
   59    58 S   HC   _H45    57     1.09564   111.54079   -48.86518
   60    58 S   HC   _H46    58     1.09546   111.97596    71.46776
   61    33 S   CT   _C20    70     1.59651   116.24414   147.94565
   62    58 S   CT   _C17    59     1.54923   103.36146  -169.60753
   63    62 S   HC   _H51    60     1.09801   105.49281   -95.64873
   64    61 S   CT   _C25    71     1.55690   109.75142    48.40714
   65    64 S   HC   _H57    72     1.09085   113.69749   -55.37866
   66    64 S   HC   _H58    73     1.09351   112.82499  -176.48219
   67    64 S   HC   _H59    74     1.09716   111.05159    64.26431
   68    62 S   CT   _C21    61     1.58436   106.51153    19.82074
   69    62 S   CT   _C24   106     1.52311   110.58310   150.12406
   70    69 S   HC   _H54   107     1.09363   112.27161   -61.11301
   71    69 S   HC   _H55   108     1.09435   111.04475   176.58436
   72    69 S   HC   _H56   109     1.09598   110.13210    58.07466
   73    54 S   CT   _C22    62     1.54619   113.94130  -175.41593
   74    68 S   CO4  _C7_    81     1.55439   118.50392   133.23994
   75    74 S   O    _O30    82     1.23233   122.25490   -28.48582
   76    68 S   OS   _O36    96     1.45908   107.41659  -102.87559
   77    73 S   CT   _C14    63     1.54646   107.01307   -59.41231
   78    77 S   HC   _H47    64     1.09561   110.33890   -67.67674
   79    77 S   HC   _H48    65     1.09610   109.23229   175.73851
   80    73 S   CT   _C26    77     1.55548   113.00672    61.57644
   81    80 S   HC   _H60    78     1.09338   112.70325    69.60910
   82    80 S   HC   _H61    79     1.09120   113.40890   -50.60346
   83    80 S   HC   _H62    80     1.09623   110.63021  -170.74747
   84    74 S   CT   _C29    83     1.52379   117.73819   154.19288
   85    84 S   HC   _H69    84     1.09124   110.13205    39.90856
   86    84 S   HC   _H70    85     1.09352   108.87183   -81.77092
   87    76 S   CO4  _C8_    97     1.36614   120.42963   -65.48023
   88    87 S   O    _O33    98     1.22242   125.86923    -1.78827
   89    77 S   CT   _C18    66     1.55081   113.89305    54.15220
   90    89 S   HC   _H52    67     1.09506   106.29079  -172.16634
   91    84 S   OS   _O37    86     1.43025   108.62907   159.44432
   92    87 S   CT   _C30    99     1.50976   108.75281   178.64463
   93    92 S   HC   _H71   100     1.09513   108.43795   -59.48945
   94    92 S   HC   _H72   101     1.09516   108.42952    58.90535
   95    89 S   OH   _O35    75     1.42227   108.16795    73.95209
   96    95 S   HO   _H75    76     0.97258   107.86446    61.89694
   97    91 S   CO4  _C9_    87     1.36515   115.28736  -179.72876
   98    97 S   O    _O34    88     1.22316   125.68984     0.10087
   99    92 S   CT   _C27   102     1.51835   112.06064   179.67857
  100    99 S   HC   _H63   103     1.09510   111.03383   -59.96301
  101    99 S   HC   _H64   104     1.09508   111.04191    59.95283
  102    99 S   HC   _H65   105     1.09429   110.39510   180.00000
  103    97 S   CT   _C31    89     1.51028   108.97298  -179.94065
  104   103 S   HC   _H73    90     1.09514   108.45271   -59.14347
  105   103 S   HC   _H74    91     1.09512   108.45402    59.26510
  106   103 S   CT   _C28    92     1.51861   112.09057  -179.93744
  107   106 S   HC   _H66    93     1.09509   111.04346   -59.97229
  108   106 S   HC   _H67    94     1.09509   111.04511    59.95193
  109   106 S   HC   _H68    95     1.09432   110.39153   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  18   8  22   9  15   6  14   6   5   8  14   8   4
   2   1   1  23   6   2   1   1  15  10   5   9  10   5   4   4
   2   1   1   6   3   2   8   4   3   2   6   6   5   4   1   1
   8   4   3   2   1   1   6   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    89    56    57    61    64    65    66    67  
   38    39    40    41    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    64  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    64  
   45    46    61  
   46    47    48    49    50    51    52    89    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    73    89    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    73    77    89    90    56    57    61    64    95    80  
   54    55    58    73    89    56    57    61  
   55    58    59    60    62    63    68    73    77    78    79    89    56    57    61    80    81    82    83    74    76    69  
   58    59    60    62    68    73    77    56    80  
   57    61    64    65    66    67    95    96    58    73    77    78    79    89    90  
   61    64    95    77    89    90  
   59    60    62    63    68    73    77    80    74    76    69    70    71    72  
   60    62    63    68    73    69  
   62    63    68    73    69  
   64    65    66    67    95    77    89    90  
   63    68    73    77    80    74    75    84    76    87    69    70    71    72  
   68    73    74    76    69    70    71    72  
   65    66    67    89  
   66    67  
   67  
    0  
   73    77    78    79    89    80    81    82    83    74    75    84    85    86    91    76    87    88    92    69    70    71    72  
   70    71    72    73    74    76  
   71    72  
   72  
    0  
   77    78    79    89    90    95    80    81    82    83    74    75    84    76    87  
   75    84    85    86    91    97    76    87    77    80  
   84    85    86    91    76  
   87    88    92    93    94    99    77    80    84  
   78    79    89    90    95    96    80    81    82    83  
   79    89    90    95    80  
   89    90    95    80  
   81    82    83    89  
   82    83  
   83  
    0  
   85    86    91    97    98   103  
   86    91    97  
   91    97  
   88    92    93    94    99   100   101   102  
   92    93    94    99  
   90    95    96  
   95    96  
   97    98   103   104   105   106  
   93    94    99   100   101   102  
   94    99   100   101   102  
   99   100   101   102  
   96  
    0  
   98   103   104   105   106   107   108   109  
  103   104   105   106  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109  
  105   106   107   108   109  
  106   107   108   109  
  107   108   109  
  108   109  
  109  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    73   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   268.000  1.529
   68    73   268.000  1.529
   68    74   317.000  1.522
   68    76   320.000  1.410
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    89   268.000  1.529
   89    90   340.000  1.090
   89    56   268.000  1.529
   89    95   320.000  1.410
   56    57   245.000  1.781
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   95    96   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    75   570.000  1.229
   74    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    91   320.000  1.410
   91    97   214.000  1.327
   97    98   570.000  1.229
   97   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
   76    87   214.000  1.327
   87    88   570.000  1.229
   87    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    73    58.35000  112.70000
   52    56    89    58.35000  112.70000
   52    56    57    69.00000  109.80000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    73    68    58.35000  112.70000
   54    73    77    58.35000  112.70000
   54    73    80    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    68    74    63.00000  111.10000
   62    68    76    50.00000  109.50000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   68    62    63    37.50000  110.70000
   68    73    77    58.35000  112.70000
   68    73    80    58.35000  112.70000
   68    74    75    80.00000  120.40000
   68    74    84    70.00000  116.00000
   68    76    87    83.00000  116.90000
   73    54    55    37.50000  110.70000
   73    54    58    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    89    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    89    90    37.50000  110.70000
   77    89    56    58.35000  112.70000
   77    89    95    50.00000  109.50000
   79    77    78    33.00000  107.80000
   89    77    78    37.50000  110.70000
   89    77    79    37.50000  110.70000
   89    56    57    69.00000  109.80000
   89    56    61    58.35000  112.70000
   89    95    96    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    89    90    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    69.00000  109.80000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   95    89    90    35.00000  109.50000
   95    89    56    50.00000  109.50000
   80    73    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   74    68    73    63.00000  111.10000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    91    90.00000  108.74100
   84    74    75    80.00000  120.40000
   84    91    97    83.00000  116.90000
   86    84    85    33.00000  107.80000
   91    84    85    35.00000  109.50000
   91    84    86    35.00000  109.50000
   91    97    98    83.00000  123.40000
   91    97   103    81.00000  111.40000
   97   103   104    35.00000  109.50000
   97   103   105    35.00000  109.50000
   97   103   106    63.00000  111.10000
  103    97    98    80.00000  120.40000
  103   106   107    37.50000  110.70000
  103   106   108    37.50000  110.70000
  103   106   109    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
   76    68    73    50.00000  109.50000
   76    68    74    90.00000  108.74100
   76    87    88    83.00000  123.40000
   76    87    92    81.00000  111.40000
   87    92    93    35.00000  109.50000
   87    92    94    35.00000  109.50000
   87    92    99    63.00000  111.10000
   92    87    88    80.00000  120.40000
   92    99   100    37.50000  110.70000
   92    99   101    37.50000  110.70000
   92    99   102    37.50000  110.70000
   94    92    93    33.00000  107.80000
   99    92    93    37.50000  110.70000
   99    92    94    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    68    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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
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   56    52   -54    73   0.20000  1.0 3.0
   56    89    95    96  -0.11600  1.0 1.0
   56    89    95    96  -0.09450 -1.0 2.0
   56    89    95    96   0.21250  1.0 3.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61    64    67   0.15000  1.0 3.0
   57    56    61    33   0.35600  1.0 1.0
   57    56    61    33  -0.14650 -1.0 2.0
   57    56    61    33   0.33350  1.0 3.0
   57    56    61    45   0.56750  1.0 1.0
   57    56    61    45  -0.07550 -1.0 2.0
   57    56    61    45   0.20000  1.0 3.0
   57    56    61    64   0.35600  1.0 1.0
   57    56    61    64  -0.14650 -1.0 2.0
   57    56    61    64   0.33350  1.0 3.0
   61    33    38    39   0.15000  1.0 3.0
   61    33    38    40   0.15000  1.0 3.0
   61    33   -38    41  -0.95700  1.0 1.0
   61    33   -38    41  -0.18200 -1.0 2.0
   61    33   -38    41   0.29450  1.0 3.0
   61    45    46    47   0.34800  1.0 3.0
   61    45    46    48   0.34800  1.0 3.0
   61    45   -46    49   0.46850  1.0 1.0
   61    45   -46    49   0.08550 -1.0 2.0
   61    45   -46    49   0.09800  1.0 3.0
   95    89    56    52   0.86500  1.0 1.0
   95    89    56    52  -0.17500 -1.0 2.0
   95    89    56    52   0.20800  1.0 3.0
   95    89    56    57   0.56750  1.0 1.0
   95    89    56    57  -0.07550 -1.0 2.0
   95    89    56    57   0.20000  1.0 3.0
   95    89    56    61   0.86500  1.0 1.0
   95    89    56    61  -0.17500 -1.0 2.0
   95    89    56    61   0.20800  1.0 3.0
   80    73    77    78   0.15000  1.0 3.0
   80    73    77    79   0.15000  1.0 3.0
   80    73    77    89   0.56750  1.0 1.0
   80    73    77    89  -0.07550 -1.0 2.0
   80    73    77    89   0.20000  1.0 3.0
   74    68    73    54  -0.95700  1.0 1.0
   74    68    73    54  -0.18200 -1.0 2.0
   74    68    73    54   0.29450  1.0 3.0
   74    68    73    77  -0.95700  1.0 1.0
   74    68    73    77  -0.18200 -1.0 2.0
   74    68    73    77   0.29450  1.0 3.0
   74    68    73    80  -0.95700  1.0 1.0
   74    68    73    80  -0.18200 -1.0 2.0
   74    68    73    80   0.29450  1.0 3.0
   74    68    76    87  -1.80650  1.0 1.0
   74    68    76    87   0.63900 -1.0 2.0
   74    68    76    87   0.03650  1.0 3.0
   74    84    91    97  -1.80650  1.0 1.0
   74    84    91    97   0.63900 -1.0 2.0
   74    84    91    97   0.03650  1.0 3.0
   75    74    84    85   0.00000  1.0 1.0
   75    74    84    86   0.00000  1.0 1.0
   75    74    84    91   0.30150 -1.0 2.0
   84    91    97    98   3.00000 -1.0 2.0
   84    91    97   103   1.63150  1.0 1.0
   84    91    97   103   2.92000 -1.0 2.0
   85    84    91    97   0.08050  1.0 3.0
   86    84    91    97   0.08050  1.0 3.0
   91    97   103   104   0.00000  1.0 1.0
   91    97   103   105   0.00000  1.0 1.0
   91    97   103   106   0.36750  1.0 3.0
   97   103   106   107  -0.11250  1.0 3.0
   97   103   106   108  -0.11250  1.0 3.0
   97   103   106   109  -0.11250  1.0 3.0
   98    97   103   104   0.00000  1.0 1.0
   98    97   103   105   0.00000  1.0 1.0
   98    97   103   106   0.30150 -1.0 2.0
  104   103   106   107   0.15000  1.0 3.0
  104   103   106   108   0.15000  1.0 3.0
  104   103   106   109   0.15000  1.0 3.0
  105   103   106   107   0.15000  1.0 3.0
  105   103   106   108   0.15000  1.0 3.0
  105   103   106   109   0.15000  1.0 3.0
   76    68    73    54   0.62750  1.0 1.0
   76    68    73    54  -0.30950 -1.0 2.0
   76    68    73    54   0.27300  1.0 3.0
   76    68    73    77   0.62750  1.0 1.0
   76    68    73    77  -0.30950 -1.0 2.0
   76    68    73    77   0.27300  1.0 3.0
   76    68    73    80   0.62750  1.0 1.0
   76    68    73    80  -0.30950 -1.0 2.0
   76    68    73    80   0.27300  1.0 3.0
   76    68    74    75   0.30150 -1.0 2.0
   76    68    74    84   0.55300  1.0 1.0
   76    68    74    84   1.25850 -1.0 2.0
   76    68    74    84  -0.23600  1.0 3.0
   76    87    92    93   0.00000  1.0 1.0
   76    87    92    94   0.00000  1.0 1.0
   76    87    92    99   0.36750  1.0 3.0
   87    92    99   100  -0.11250  1.0 3.0
   87    92    99   101  -0.11250  1.0 3.0
   87    92    99   102  -0.11250  1.0 3.0
   88    87    92    93   0.00000  1.0 1.0
   88    87    92    94   0.00000  1.0 1.0
   88    87    92    99   0.30150 -1.0 2.0
   93    92    99   100   0.15000  1.0 3.0
   93    92    99   101   0.15000  1.0 3.0
   93    92    99   102   0.15000  1.0 3.0
   94    92    99   100   0.15000  1.0 3.0
   94    92    99   101   0.15000  1.0 3.0
   94    92    99   102   0.15000  1.0 3.0
   69    62    68    73   0.56750  1.0 1.0
   69    62    68    73  -0.07550 -1.0 2.0
   69    62    68    73   0.20000  1.0 3.0
   69    62    68    74  -0.95700  1.0 1.0
   69    62    68    74  -0.18200 -1.0 2.0
   69    62    68    74   0.29450  1.0 3.0
   69    62    68    76   0.62750  1.0 1.0
   69    62    68    76  -0.30950 -1.0 2.0
   69    62    68    76   0.27300  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
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   68    84    74    75  10.50000 -1.0 2.0
   91   103    97    98  10.50000 -1.0 2.0
   76    92    87    88  10.50000 -1.0 2.0
END
