* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    202    335     612
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064   104.80616   -32.72600
    3     1 S   H    _H1_     3     1.02046    67.39300    71.70030
    4     1 S   H    _H2_     4     1.02108    45.45265  -134.48434
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.90322    95.68089  -158.09130
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C15    37     1.56574   102.75449   -40.05230
   38    37 S   HC   _H47    38     1.09843   110.21956    43.51997
   39    33 S   CT   _C19    61     1.64766   106.33362  -163.52318
   40    37 S   CO4  _C9_    39     1.51528   117.50885   161.44711
   41    40 S   O    _O28    40     1.22853   122.61380   148.36447
   42    39 S   CO4  _C8_    62     1.58447   114.87942    44.96928
   43    42 S   O    _O27    63     1.23222   123.71841    21.09405
   44    39 S   CT   _C24    94     1.55122   111.18377   161.44317
   45    44 S   HC   _H51    95     1.08113   108.69048    56.45501
   46    44 S   HC   _H52    96     1.08143   108.65968   -63.52136
   47    44 S   HC   _H53    97     1.08080   108.66194   176.46288
   48    37 S   OH   _O36   102     1.41891   113.24386   -75.00667
   49    48 S   HO   _H68   103     0.97210   106.90876   170.13921
   50    40 S   OS   _O33    41     1.34834   116.01159   -38.65066
   51    42 S   CT   _C11    64     1.52827   118.59285  -163.75149
   52    51 S   HC   _H40    65     1.09633   107.90789   169.51399
   53    51 S   HC   _H41    66     1.09219   110.03829   -74.01916
   54    50 S   CT   _C14    42     1.44428   120.81902    38.62564
   55    54 S   HC   _H46    43     1.09835   104.89636    72.28796
   56    51 S   CT   _C16    67     1.50731   108.34687    51.01386
   57    56 S   HC   _H48    68     1.10428   104.56664    53.51969
   58    54 S   C5BC _C7_    44     1.52618   106.25146  -179.09930
   59    33 S   CT   _C20    52     1.61579   109.52198    72.56543
   60    87 S   CT   _C21    69     1.57254   114.41515  -163.87743
   61    58 S   C5BC _C4_    45     1.41525   127.05907    39.97972
   62    61 S   HA   _H37    46     1.08126   127.73404     0.07662
   63    59 S   CT   _C13    53     1.54746   111.27809    74.57525
   64    63 S   HC   _H44    54     1.09709   109.92973   -72.03005
   65    63 S   HC   _H45    55     1.09715   110.49596   173.12072
   66    60 S   CT   _C18    70     1.55449   117.01130    64.06594
   67    66 S   HC   _H50    71     1.09828   110.34046    37.01506
   68    60 S   CT   _C29    89     1.54238   113.26385   -63.69509
   69    68 S   HC   _H65    90     1.08368   109.09704   -80.75239
   70    68 S   HC   _H66    91     1.08438   109.13250   158.30363
   71    59 S   CT   _C25    98     1.56247   112.60262   -44.16988
   72    71 S   HC   _H54    99     1.07676   107.87244   -58.14908
   73    71 S   HC   _H55   100     1.07605   107.97583  -178.13460
   74    71 S   HC   _H56   101     1.07687   107.91886    61.82120
   75    61 S   C5A  _C5_    47     1.37505   106.13081   179.96044
   76    75 S   HA   _H38    48     1.08011   133.79390   179.95154
   77    63 S   CT   _C12    56     1.52178   114.64023    50.44177
   78    77 S   HC   _H42    57     1.09206   110.90437    65.71690
   79    77 S   HC   _H43    58     1.09072   106.12135  -179.15027
   80    66 S   OS   _O34    72     1.45870   104.79302   151.72007
   81    66 S   CT   _C28    82     1.52473   119.28794   -89.42910
   82    81 S   HC   _H63    83     1.09294   109.04359   -72.38954
   83    81 S   HC   _H64    84     1.09324   109.02718    47.05059
   84    68 S   OH   _O37    92     1.41080   107.89623    38.77874
   85    84 S   HO   _H69    93     0.97421   107.42521  -179.97202
   86    75 S   OA   _O30    49     1.35830   110.57657     0.06561
   87    77 S   CT   _C17    59     1.52919   110.87983   -59.67132
   88    87 S   HC   _H49    60     1.09848   104.14709   -51.96818
   89    56 S   CT   _C23    73     1.52849   120.78638   171.13760
   90    81 S   C    _C10    85     1.50491   111.83773   167.29503
   91    90 S   O    _O29    86     1.22172   126.37601     0.53376
   92    58 S   C5A  _C6_    50     1.37529   126.83604  -139.98852
   93    92 S   HA   _H39    51     1.08082   133.88816     0.00000
   94    89 S   CT   _C26    74     1.53351   111.36443   -88.78857
   95    94 S   HC   _H57    75     1.08701   109.42626   179.97202
   96    94 S   HC   _H58    76     1.08614   109.45226    60.06580
   97    94 S   HC   _H59    77     1.08590   109.49280   -59.97804
   98    89 S   CT   _C27    78     1.52910   115.55035    35.61213
   99    98 S   HC   _H60    79     1.08853   109.69774   179.97202
  100    98 S   HC   _H61    80     1.08810   109.71556    60.00995
  101    98 S   HC   _H62    81     1.08848   109.70195   -60.00305
  102    90 S   OH   _O35    87     1.35793   109.85601  -179.49101
  103   102 S   HO   _H67    88     0.98087   111.85909  -179.93744
  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  13   5   4   3
  30   2   1   1  14   7  24   8   3  16   6   9   3   2   1   3
   1   8  12   5   4  17   6  22   8  10  13  21   6   4  11   6
   5  18   8  10   4   3   4   2   1   1   4   2   4   3   2  14
   8   4   3   2   1   2   2   1   8   3   2   1   1   7   3   2
   1   3   2   1   1   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    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    54    59    63    87    39    42    44    71    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    50    54    55    58    59    63    64    65    77    87    88    39    42    43    51    60    44    45    46    47    71    72    73    74    48    49  
   35    36  
   36  
    0  
   38    40    41    50    54    59    63    87    39    42    44    71    48    49  
   40    41    50    59    39    48    49  
   42    43    51    52    53    56    60    66    68    44    45    46    47    71    48    40    54    59    63    77    78    79    87    88  
   41    50    54    55    58    59    48    49  
   50    54    48  
   43    51    52    53    56    57    60    89    44    45    46    47    59    77    87    88  
   51    52    53    56    44    87  
   45    46    47    51    59    60    77    87    88  
   46    47    87  
   47    87  
   87  
   49    50    59  
    0  
   54    55    58    61    92    59    63    71  
   52    53    56    57    60    66    80    89    94    98    68    87  
   53    56    57    60    89  
   56    57    60    89  
   55    58    61    62    75    86    92    93    59    63    64    65    77    71    72    73    74  
   58    61    92    59    63    71  
   57    60    66    67    80    89    94    95    96    97    98    99   100   101    81    68    69    70    84    77    87    88  
   60    66    80    89    94    98    68    87  
   61    62    75    76    86    92    93    59    63    71  
   63    64    65    77    78    79    87    71    72    73    74    61    92  
   66    67    80    89    94    98    81    82    83    90    68    69    70    84    85    63    77    78    79    87    88  
   62    75    76    86    92    93  
   75    76    86    92  
   64    65    77    78    79    87    88    71    72    73    74  
   65    77    78    79    87    71  
   77    78    79    87    71  
   67    80    89    94    98    81    82    83    90    91   102    68    69    70    84    77    87    88  
   80    89    81    82    83    90    68    87  
   69    70    84    85    77    80    81    87    88    89  
   70    84    85    87  
   84    85    87  
   72    73    74    77  
   73    74  
   74  
    0  
   76    86    92    93  
   86    92  
   78    79    87    88  
   79    87    88  
   87    88  
   89    94    95    96    97    98    99   100   101    81    82    83    90    87  
   82    83    90    91   102   103    87    89  
   83    90    91   102  
   90    91   102  
   85    87  
    0  
   92    93  
   88    89  
    0  
   94    95    96    97    98    99   100   101  
   91   102   103  
  102   103  
   93  
    0  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    0  
  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   0.167500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   92   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    59   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    48   320.000  1.410
   40    41   570.000  1.229
   40    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    58   285.000  1.502
   54    59   268.000  1.529
   58    61   469.000  1.424
   58    92   546.000  1.367
   61    62   367.000  1.080
   61    75   546.000  1.367
   75    76   367.000  1.080
   75    86   340.000  1.360
   86    92   340.000  1.360
   92    93   367.000  1.080
   59    63   268.000  1.529
   59    71   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    87   268.000  1.529
   87    88   340.000  1.090
   87    39   268.000  1.529
   87    60   268.000  1.529
   39    42   317.000  1.522
   39    44   268.000  1.529
   42    43   570.000  1.229
   42    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    89   268.000  1.529
   60    66   268.000  1.529
   60    68   268.000  1.529
   66    67   340.000  1.090
   66    80   320.000  1.410
   66    81   268.000  1.529
   80    89   320.000  1.410
   89    94   268.000  1.529
   89    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    90   317.000  1.522
   90    91   570.000  1.229
   90   102   450.000  1.364
  102   103   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    84   320.000  1.410
   84    85   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   48    49   553.000  0.945
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  111.63000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    48    50.00000  109.50000
   33    59    54    58.35000  112.70000
   33    59    63    58.35000  112.70000
   33    59    71    58.35000  112.70000
   33    39    87    58.35000  112.70000
   33    39    42    63.00000  111.10000
   33    39    44    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    50    81.00000  111.40000
   37    48    49    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    50    54    83.00000  116.90000
   50    40    41    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    58    85.00000  111.85700
   50    54    59    50.00000  109.50000
   54    58    61    60.00000  130.00000
   54    58    92    60.00000  130.00000
   54    59    63    58.35000  112.70000
   54    59    71    58.35000  112.70000
   58    54    55    35.00000  109.50000
   58    61    62    35.00000  127.50000
   58    61    75    70.00000  107.30000
   58    92    86    70.00000  110.60000
   58    92    93    35.00000  132.10000
   61    75    76    35.00000  132.10000
   61    75    86    70.00000  110.60000
   75    61    62    35.00000  125.70000
   75    86    92    70.00000  106.50000
   86    75    76    35.00000  113.40000
   86    92    93    35.00000  113.40000
   92    58    61    70.00000  107.30000
   59    33    37    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    54    58    70.00000  112.17500
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    77    58.35000  112.70000
   59    71    72    37.50000  110.70000
   59    71    73    37.50000  110.70000
   59    71    74    37.50000  110.70000
   63    77    78    37.50000  110.70000
   63    77    79    37.50000  110.70000
   63    77    87    58.35000  112.70000
   65    63    64    33.00000  107.80000
   77    63    64    37.50000  110.70000
   77    63    65    37.50000  110.70000
   77    87    88    37.50000  110.70000
   77    87    39    58.35000  112.70000
   77    87    60    58.35000  112.70000
   79    77    78    33.00000  107.80000
   87    77    78    37.50000  110.70000
   87    77    79    37.50000  110.70000
   87    39    42    63.00000  111.10000
   87    39    44    58.35000  112.70000
   87    60    56    58.35000  112.70000
   87    60    66    58.35000  112.70000
   87    60    68    58.35000  112.70000
   39    33    37    58.35000  112.70000
   39    33    59    58.35000  112.70000
   39    87    88    37.50000  110.70000
   39    42    43    80.00000  120.40000
   39    42    51    70.00000  116.00000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   42    51    52    35.00000  109.50000
   42    51    53    35.00000  109.50000
   42    51    56    63.00000  111.10000
   51    42    43    80.00000  120.40000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    89    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    66    58.35000  112.70000
   56    60    68    58.35000  112.70000
   56    89    80    50.00000  109.50000
   56    89    94    58.35000  112.70000
   56    89    98    58.35000  112.70000
   60    87    88    37.50000  110.70000
   60    87    39    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    80    50.00000  109.50000
   60    66    81    58.35000  112.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    84    50.00000  109.50000
   66    80    89    60.00000  109.50000
   66    81    82    37.50000  110.70000
   66    81    83    37.50000  110.70000
   66    81    90    63.00000  111.10000
   80    66    67    35.00000  109.50000
   80    89    94    50.00000  109.50000
   80    89    98    50.00000  109.50000
   89    56    57    37.50000  110.70000
   89    56    60    58.35000  112.70000
   89    94    95    37.50000  110.70000
   89    94    96    37.50000  110.70000
   89    94    97    37.50000  110.70000
   89    98    99    37.50000  110.70000
   89    98   100    37.50000  110.70000
   89    98   101    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    89    94    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   81    66    67    37.50000  110.70000
   81    66    80    50.00000  109.50000
   81    90    91    80.00000  120.40000
   81    90   102    70.00000  108.00000
   83    81    82    33.00000  107.80000
   90    81    82    35.00000  109.50000
   90    81    83    35.00000  109.50000
   90   102   103    35.00000  113.00000
  102    90    91   100.00000  123.32000
   68    60    66    58.35000  112.70000
   68    84    85    55.00000  108.50000
   70    68    69    33.00000  107.80000
   84    68    69    35.00000  109.50000
   84    68    70    35.00000  109.50000
   44    39    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   71    59    63    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   48    37    38    35.00000  109.50000
   48    37    40    90.00000  109.61100
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
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   60    68    84    85  -0.09450 -1.0 2.0
   60    68    84    85   0.21250  1.0 3.0
   66    60    68    69   0.15000  1.0 3.0
   66    60    68    70   0.15000  1.0 3.0
   66    60    68    84   0.86500  1.0 1.0
   66    60    68    84  -0.17500 -1.0 2.0
   66    60    68    84   0.20800  1.0 3.0
   66    80   -89    56   0.06250  1.0 1.0
   66    80   -89    56  -0.01100 -1.0 2.0
   66    80   -89    56   0.28050  1.0 3.0
   66    80    89    94   0.06250  1.0 1.0
   66    80    89    94  -0.01100 -1.0 2.0
   66    80    89    94   0.28050  1.0 3.0
   66    80    89    98   0.06250  1.0 1.0
   66    80    89    98  -0.01100 -1.0 2.0
   66    80    89    98   0.28050  1.0 3.0
   66    81    90    91   0.30150 -1.0 2.0
   66    81    90   102   0.50000  1.0 1.0
   66    81    90   102   0.27300 -1.0 2.0
   66    81    90   102   0.22500  1.0 3.0
   67    66    80    89   0.37050  1.0 3.0
   67    66    81    82   0.15000  1.0 3.0
   67    66    81    83   0.15000  1.0 3.0
   67    66    81    90  -0.11250  1.0 3.0
   80    66    81    82   0.23400  1.0 3.0
   80    66    81    83   0.23400  1.0 3.0
   80    66    81    90  -0.09450  1.0 1.0
   80    66    81    90  -1.12950 -1.0 2.0
   80    66    81    90   0.54000  1.0 3.0
   80    89    94    95   0.23400  1.0 3.0
   80    89    94    96   0.23400  1.0 3.0
   80    89    94    97   0.23400  1.0 3.0
   80    89    98    99   0.23400  1.0 3.0
   80    89    98   100   0.23400  1.0 3.0
   80    89    98   101   0.23400  1.0 3.0
   89    56    60    87   0.56750  1.0 1.0
   89    56    60    87  -0.07550 -1.0 2.0
   89    56    60    87   0.20000  1.0 3.0
   89    56   -60    66   0.56750  1.0 1.0
   89    56   -60    66  -0.07550 -1.0 2.0
   89    56   -60    66   0.20000  1.0 3.0
   89    56    60    68   0.56750  1.0 1.0
   89    56    60    68  -0.07550 -1.0 2.0
   89    56    60    68   0.20000  1.0 3.0
   94    89    98    99   0.15000  1.0 3.0
   94    89    98   100   0.15000  1.0 3.0
   94    89    98   101   0.15000  1.0 3.0
   98    89    94    95   0.15000  1.0 3.0
   98    89    94    96   0.15000  1.0 3.0
   98    89    94    97   0.15000  1.0 3.0
   81    66    80    89   0.06250  1.0 1.0
   81    66    80    89  -0.01100 -1.0 2.0
   81    66    80    89   0.28050  1.0 3.0
   81    90   102   103   1.50000  1.0 1.0
   81    90   102   103   2.45000 -1.0 2.0
   82    81    90    91   0.00000  1.0 1.0
   82    81    90   102   0.00000  1.0 1.0
   83    81    90    91   0.00000  1.0 1.0
   83    81    90   102   0.00000  1.0 1.0
   91    90   102   103   0.92200  1.0 1.0
   91    90   102   103   3.74100 -1.0 2.0
   68    60    66    67   0.15000  1.0 3.0
   68    60    66    80   0.62750  1.0 1.0
   68    60    66    80  -0.30950 -1.0 2.0
   68    60    66    80   0.27300  1.0 3.0
   68    60    66    81   0.56750  1.0 1.0
   68    60    66    81  -0.07550 -1.0 2.0
   68    60    66    81   0.20000  1.0 3.0
   69    68    84    85   0.19450  1.0 3.0
   70    68    84    85   0.19450  1.0 3.0
   44    39    42    43   0.30150 -1.0 2.0
   44    39    42    51   0.60050  1.0 1.0
   44    39    42    51   0.05600 -1.0 2.0
   44    39    42    51   0.26150  1.0 3.0
   71    59    63    64   0.15000  1.0 3.0
   71    59    63    65   0.15000  1.0 3.0
   71    59    63    77   0.56750  1.0 1.0
   71    59    63    77  -0.07550 -1.0 2.0
   71    59    63    77   0.20000  1.0 3.0
   48    37    40    41   0.30150 -1.0 2.0
   48    37    40    50   0.30750  1.0 1.0
   48    37    40    50   1.13850 -1.0 2.0
   48    37    40    50   0.38850  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
   37    50    40    41  10.50000 -1.0 2.0
   61    92    58    54   4.00000 -1.0 2.0
   75    62    61    58   1.10000 -1.0 2.0
   86    76    75    61   1.10000 -1.0 2.0
   86    93    92    58   1.10000 -1.0 2.0
   39    51    42    43  10.50000 -1.0 2.0
   81   102    90    91  10.50000 -1.0 2.0
END
