* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    201    329     608
    1     0 S   NP   _N1_     1    28.76847    91.92959   -21.86563
    2     1 S   H    _HN1     2     1.02787    93.22492   -82.99758
    3     1 S   H    _H1_     3     1.02952   104.80987    26.81393
    4     1 S   H    _H2_     4     1.02844    16.98183   127.11832
    5     1 S   CT   _CA1     5     1.50089   125.90175   156.56668
    6     5 S   HC   _HA1     6     1.09577   105.29307    50.76209
    7     5 S   CO3  _C1_     7     1.53829   112.11704   -69.48012
    8     7 S   O2Z  _O11     8     1.26413   115.15435   -52.13680
    9     7 S   O2Z  _O12     9     1.26216   114.91029   127.09002
   10     5 S   CT   _CB1    10     1.53089   107.41853   168.54489
   11    10 S   HC   HB11    11     1.09824   109.52656   -50.97520
   12    10 S   HC   HB12    12     1.09826   110.34410    65.55563
   13    10 S   CT   _CG1    13     1.53043   112.61736  -172.07457
   14    13 S   HC   HG11    14     1.09602   110.35459   -58.38514
   15    13 S   HC   HG12    15     1.09617   110.17853    60.84593
   16    13 S   C    _CD1    16     1.51802   112.02745  -178.76299
   17    16 S   O    _OE1    17     1.22744   123.15491   -10.13590
   18    16 S   N    _N2_    18     1.38637   111.77791   169.95901
   19    18 S   H    _HN2    19     1.01579   119.11519     2.70949
   20    18 S   CT1  _CA2    20     1.46247   123.22595  -175.85589
   21    20 S   HC   _HA2    21     1.09729   109.35172   -11.72776
   22    20 S   C    _C2_    22     1.53345   108.55293  -127.65036
   23    22 S   O    _O2_    23     1.23019   122.18811  -145.68441
   24    20 S   CT   _CB2    32     1.53609   111.41190   110.06705
   25    24 S   HC   HB21    33     1.09479   109.35265    58.21317
   26    24 S   HC   HB22    34     1.09512   110.26601   177.18840
   27    22 S   N    _N3_    24     1.38487   113.38544    41.63263
   28    27 S   H    _HN3    25     1.01528   118.92160    -0.54751
   29    24 S   S    _SG2    35     1.82718   111.61458   -62.48945
   30    27 S   CT   _CA3    26     1.45450   123.42577   175.13272
   31    30 S   HC   HA31    27     1.09524   109.21960    24.75174
   32    30 S   HC   HA32    28     1.09495   107.12748   141.75099
   33    29 S   CT   _C15    36     1.84008   100.72664  -174.86859
   34    33 S   HC   _H6_    37     1.09182   106.07187    57.42992
   35    30 S   CO3  _C3_    29     1.52926   113.12310   -98.71346
   36    35 S   O2Z  _O31    30     1.26401   115.40564   -44.53834
   37    35 S   O2Z  _O32    31     1.26356   114.98231   136.39840
   38    33 S   CT   _C16    38     1.52632   106.86752   172.64379
   39    38 S   HC   _H23    39     1.09591   112.75137    48.40528
   40    38 S   HC   _H24    40     1.09756   109.89870   -70.68652
   41    38 S   CO4  _C17    41     1.51252   111.35046   169.66062
   42    41 S   O    _O35    42     1.23127   120.28206   129.64043
   43    41 S   CT   _C12    43     1.53618   116.81470   -53.10616
   44    43 S   CT   _C11    44     1.54638   111.23560   179.97202
   45    44 S   HC   _H19    45     1.09798   109.15552   160.01157
   46    44 S   HC   _H20    46     1.09767   110.76666    44.32614
   47    43 S   CT   _C13    69     1.56422   109.02520    55.38480
   48    47 S   HC   _H5_    70     1.09809   104.07437  -162.62189
   49    43 S   CT   _C18    78     1.56068   107.18889   -63.43607
   50    49 S   HC   _H25    79     1.09755   109.83174  -179.60634
   51    49 S   HC   _H26    80     1.09342   111.73734    61.39728
   52    44 S   CT   _C10    47     1.52290   114.67064   -78.65074
   53    52 S   HC   _H17    48     1.09559   109.81367    69.09808
   54    52 S   HC   _H18    49     1.09727   108.70839  -176.06951
   55    33 S   CT   _C14    71     1.53726   111.64938   -62.67214
   56    55 S   HC   _H21    72     1.09321   109.86990    68.04964
   57    55 S   HC   _H22    73     1.09837   108.96129   -46.16004
   58    49 S   OS1  _O36    81     1.42992   110.28401   -59.80076
   59    52 S   CT   _C9_    50     1.53312   112.23852   -53.81486
   60    59 S   HC   _H4_    51     1.10036   106.88322   177.89290
   61    58 S   CO1  _C19    82     1.43417   112.25648   178.44141
   62    61 S   HC   _H7_    83     1.09830   108.17878    54.49257
   63    59 S   CO4  _C8_    52     1.52624   110.93394   -69.79983
   64    63 S   O    _O34    53     1.22958   122.01934   -27.24242
   65    61 S   CT   _C20    84     1.53329   107.58067   173.73428
   66    65 S   HC   _H8_    85     1.09682   109.92460    52.54217
   67    63 S   OS   _O33    54     1.35102   117.82283   158.28546
   68    65 S   CT   _C21    86     1.53173   111.26688   174.46077
   69    68 S   HC   _H9_    87     1.09670   110.20022    74.12068
   70    65 S   OH5  _O41   102     1.42941   109.99528   -64.13584
   71    70 S   HO   _H32   103     0.97221   108.22343   -60.95989
   72    67 S   CT   _C7_    55     1.44512   125.05894   -17.73534
   73    72 S   HC   _H3_    56     1.09644   105.79876   -94.40670
   74    68 S   CT   _C22    88     1.53263   111.49667   -48.54548
   75    74 S   HC   _H10    89     1.09700   109.08833   -71.50386
   76    68 S   OH5  _O40   100     1.42954   109.60213  -170.07796
   77    76 S   HO   _H31   101     0.97244   108.10943    61.02863
   78    72 S   C5BC _C25    57     1.49871   109.98781   150.49766
   79    72 S   CT   _C6_    65     1.52285   112.73054    25.62072
   80    79 S   HC   _H15    66     1.10069   108.62453    72.86326
   81    79 S   HC   _H16    67     1.09637   110.02926  -172.51397
   82    74 S   CT   _C23    90     1.53195   110.53077    49.70340
   83    82 S   HC   _H11    91     1.09844   110.89467    63.58090
   84    74 S   OH5  _O39    98     1.42580   109.65400   171.62229
   85    84 S   HO   _H30    99     0.97252   108.21053   -59.16962
   86    78 S   C5BC _C26    58     1.42452   127.70911   -43.89621
   87    86 S   HA   _H33    59     1.08091   127.40754     0.22381
   88    59 S   CT   _C5_    68     1.54549   111.16454    59.28562
   89    61 S   OS1  _O37    92     1.42874   110.78728   -66.32855
   90    82 S   CT   _C24    93     1.52966   111.84107  -175.59340
   91    90 S   HC   _H27    94     1.09485   111.15054    69.33259
   92    90 S   HC   _H28    95     1.09402   111.48776   -53.18628
   93    86 S   C5A  _C27    60     1.37462   106.54056  -179.78420
   94    93 S   HA   _H34    61     1.08027   133.82245  -179.97202
   95    88 S   CT   _C4_    74     1.54784   108.86841    69.96675
   96    95 S   HC   _H12    75     1.09073   113.15100   -73.35799
   97    95 S   HC   _H13    76     1.09414   111.41163   164.27272
   98    95 S   HC   _H14    77     1.09712   110.98501    46.53992
   99    90 S   OH5  _O38    96     1.42511   108.87690  -172.04794
  100    99 S   HO   _H29    97     0.97637   106.91039   177.21934
  101    93 S   OA   _O42    62     1.35701   110.49948     0.04846
  102    78 S   C5A  _C28    63     1.38108   127.09199   136.41664
  103   102 S   HA   _H35    64     1.08070   133.53991    -0.16071
  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
  13   8   2   1   1  11   5   4  14   4  20  16   7   6  21   8
  10   3   2  10   5   4   6   2   1   8  13   6  13   6   8   3
  12   7   9  13   7   4   1  13   7  12   7   3   1  11   9   3
   2   9   6   3   1   6   4   4   4   4   3   2   4   2   3   2
   1   1   1   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    55    56    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    88    47    48    55    56    57  
   38    39    40    41    47    55    56    57  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    55    56    57    49  
   40    41    42    43    55  
   41    42    43    55  
   42    43    44    45    46    52    88    47    48    55    49    50    51    58  
   43    44    47    49  
   44    45    46    52    53    54    59    79    88    47    48    55    56    57    95    49    50    51    58    61  
   45    46    52    53    54    59    60    63    88    47    48    55    49    50    51    58  
   46    52    53    54    59    47    49  
   52    53    54    59    47    49  
   48    55    56    57    95    96    97    98    49    50    51    58    52    59    60    63    72    79    80    81    88  
   55    56    57    95    49    59    79    88  
   50    51    58    61    62    65    89    52    55    88  
   51    58    61  
   58    61  
   53    54    59    60    63    64    67    79    88    95  
   54    59    60    63    88  
   59    60    63    88  
   56    57    95    59    79    88  
   57    88  
   88  
   61    62    65    66    68    82    89    70  
   60    63    64    67    72    79    80    81    88    95    96    97    98  
   63    64    67    79    88    95  
   62    65    66    68    69    74    82    83    89    90    76    70    71  
   65    66    68    82    89    70  
   64    67    72    73    78    79    88    95  
   67    72    88  
   66    68    69    74    75    82    89    84    76    77    70    71  
   68    69    74    89    76    70    71  
   72    73    78    86   102    79    80    81    88  
   69    74    75    82    83    89    90    84    85    76    77    70    71  
   74    75    82    84    76    77    70  
   71    74    76    89  
    0  
   73    78    86    87    93   101   102   103    79    80    81    88    95  
   78    86   102    79    80    81    88  
   75    82    83    89    90    91    92    99    84    85    76    77  
   82    83    89    90    84    85    76  
   77    82    84  
    0  
   86    87    93    94   101   102   103    79    80    81    88  
   80    81    88    95    96    97    98    86   102  
   81    88    95  
   88    95  
   83    89    90    91    92    99   100    84    85  
   89    90    91    92    99    84  
   85    89    90  
    0  
   87    93    94   101   102   103  
   93    94   101   102  
   95    96    97    98  
   90    91    92    99  
   91    92    99   100  
   92    99   100  
   99   100  
   94   101   102   103  
  101   102  
   96    97    98  
   97    98  
   98  
    0  
  100  
    0  
  102   103  
  103  
    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   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  102   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  103   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    55   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   317.000  1.522
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    49   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    63   317.000  1.522
   59    88   268.000  1.529
   63    64   570.000  1.229
   63    67   214.000  1.327
   67    72   320.000  1.410
   72    73   340.000  1.090
   72    78   285.000  1.502
   72    79   268.000  1.529
   78    86   469.000  1.424
   78   102   546.000  1.367
   86    87   367.000  1.080
   86    93   546.000  1.367
   93    94   367.000  1.080
   93   101   340.000  1.360
  101   102   340.000  1.360
  102   103   367.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    88   268.000  1.529
   88    47   268.000  1.529
   88    95   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   335.000  1.422
   58    61   370.000  1.399
   61    62   360.000  1.097
   61    65   255.000  1.525
   61    89   370.000  1.399
   65    66   340.000  1.090
   65    68   268.000  1.529
   65    70   355.000  1.421
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   355.000  1.421
   74    75   340.000  1.090
   74    82   268.000  1.529
   74    84   355.000  1.421
   82    83   340.000  1.090
   82    89   335.000  1.422
   82    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    99   355.000  1.421
   99   100   580.000  0.967
   84    85   580.000  0.967
   76    77   580.000  0.967
   70    71   580.000  0.967
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    55    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    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    47    63.00000  111.10000
   41    43    49    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    47    88    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    55    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    58    95.00000  107.88500
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    59    58.35000  112.70000
   46    44    45    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    46    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    63    63.00000  111.10000
   52    59    88    58.35000  112.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    63    64    80.00000  120.40000
   59    63    67    81.00000  111.40000
   59    88    79    58.35000  112.70000
   59    88    47    58.35000  112.70000
   59    88    95    58.35000  112.70000
   63    59    60    35.00000  109.50000
   63    67    72    83.00000  116.90000
   67    63    64    83.00000  123.40000
   67    72    73    35.00000  109.50000
   67    72    78    85.00000  111.85700
   67    72    79    50.00000  109.50000
   72    78    86    60.00000  130.00000
   72    78   102    60.00000  130.00000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    88    58.35000  112.70000
   78    72    73    35.00000  109.50000
   78    86    87    35.00000  127.50000
   78    86    93    70.00000  107.30000
   78   102   101    70.00000  110.60000
   78   102   103    35.00000  132.10000
   86    93    94    35.00000  132.10000
   86    93   101    70.00000  110.60000
   93    86    87    35.00000  125.70000
   93   101   102    70.00000  106.50000
  101    93    94    35.00000  113.40000
  101   102   103    35.00000  113.40000
  102    78    86    70.00000  107.30000
   79    72    73    37.50000  110.70000
   79    72    78    70.00000  112.17500
   79    88    47    58.35000  112.70000
   79    88    95    58.35000  112.70000
   81    79    80    33.00000  107.80000
   88    59    60    37.50000  110.70000
   88    59    63    63.00000  111.10000
   88    79    80    37.50000  110.70000
   88    79    81    37.50000  110.70000
   88    47    48    37.50000  110.70000
   88    47    55    58.35000  112.70000
   88    95    96    37.50000  110.70000
   88    95    97    37.50000  110.70000
   88    95    98    37.50000  110.70000
   47    43    44    58.35000  112.70000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    47    48    37.50000  110.70000
   57    55    56    33.00000  107.80000
   95    88    47    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   49    43    44    58.35000  112.70000
   49    43    47    58.35000  112.70000
   49    58    61    90.00000  112.10700
   51    49    50    33.00000  107.80000
   58    49    50    55.00000  108.98800
   58    49    51    55.00000  108.98800
   58    61    62    60.00000  105.75400
   58    61    65    90.00000  109.70700
   58    61    89   110.00000  113.16000
   61    65    66    45.00000  109.54000
   61    65    68    70.00000  111.10000
   61    65    70    90.00000  109.42000
   61    89    82    90.00000  112.10700
   65    61    62    45.00000  111.65000
   65    68    69    37.50000  110.70000
   65    68    74    58.35000  112.70000
   65    68    76    90.00000  111.45300
   65    70    71    65.00000  108.53500
   68    65    66    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    82    58.35000  112.70000
   68    74    84    90.00000  111.45300
   68    76    77    65.00000  108.53500
   74    68    69    37.50000  110.70000
   74    82    83    37.50000  110.70000
   74    82    89    95.00000  107.88500
   74    82    90    58.35000  112.70000
   74    84    85    65.00000  108.53500
   82    74    75    37.50000  110.70000
   82    90    91    37.50000  110.70000
   82    90    92    37.50000  110.70000
   82    90    99    90.00000  111.45300
   89    61    62    60.00000  105.75400
   89    61    65    90.00000  109.70700
   89    82    83    55.00000  108.98800
   90    82    83    37.50000  110.70000
   90    82    89    95.00000  107.88500
   90    99   100    65.00000  108.53500
   92    90    91    33.00000  107.80000
   99    90    91    60.00000  109.39000
   99    90    92    60.00000  109.39000
   84    74    75    60.00000  109.39000
   84    74    82    90.00000  111.45300
   76    68    69    60.00000  109.39000
   76    68    74    90.00000  111.45300
   70    65    66    60.00000  109.39000
   70    65    68    90.00000  111.45300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
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   89    61    65    66   0.23400  1.0 3.0
   89    61   -65    68   0.62750  1.0 1.0
   89    61   -65    68  -0.30950 -1.0 2.0
   89    61   -65    68   0.27300  1.0 3.0
   89    61    65    70   1.51850  1.0 1.0
   89    82    90    91   0.23400  1.0 3.0
   89    82    90    92   0.23400  1.0 3.0
   89    82    90    99   1.51850  1.0 1.0
   90    82    89    61   0.06250  1.0 1.0
   90    82    89    61  -0.01100 -1.0 2.0
   90    82    89    61   0.28050  1.0 3.0
   91    90    99   100   0.19450  1.0 3.0
   92    90    99   100   0.19450  1.0 3.0
   84    74    82    83   0.23400  1.0 3.0
   84    74    82    89   1.51850  1.0 1.0
   84    74    82    90  -0.47750  1.0 1.0
   76    68    74    75   0.23400  1.0 3.0
   76    68    74    82  -0.47750  1.0 1.0
   76    68    74    84   3.77950  1.0 1.0
   70    65    68    69   0.23400  1.0 3.0
   70    65    68    74  -0.47750  1.0 1.0
   70    65    68    76   3.77950  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   59    67    63    64  10.50000 -1.0 2.0
   86   102    78    72   4.00000 -1.0 2.0
   93    87    86    78   1.10000 -1.0 2.0
  101    94    93    86   1.10000 -1.0 2.0
  101   103   102    78   1.10000 -1.0 2.0
END
