* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    195    314     578
    1     0 S   NP   _N1_     1    29.19147   100.26646   -18.84244
    2     1 S   H    _HN1     2     1.02837    68.60342   147.64310
    3     1 S   H    _H1_     3     1.02780    75.06014   -95.87547
    4     1 S   H    _H2_     4     1.02959    63.09450    24.13292
    5     1 S   CT   _CA1     5     1.50121   172.01129    60.72518
    6     5 S   HC   _HA1     6     1.09577   105.22212   143.04156
    7     5 S   CO3  _C1_     7     1.53771   112.35193    22.85264
    8     7 S   O2Z  _O11     8     1.26358   115.00415   -44.83972
    9     7 S   O2Z  _O12     9     1.26233   114.90770   134.25240
   10     5 S   CT   _CB1    10     1.53082   107.41999   -99.08942
   11    10 S   HC   HB11    11     1.09827   109.29150   -50.94199
   12    10 S   HC   HB12    12     1.09818   110.44035    65.58950
   13    10 S   CT   _CG1    13     1.53017   112.69589  -172.03923
   14    13 S   HC   HG11    14     1.09600   110.47053   -64.49398
   15    13 S   HC   HG12    15     1.09654   109.96463    54.74151
   16    13 S   C    _CD1    16     1.51824   112.26356   175.06755
   17    16 S   O    _OE1    17     1.22726   123.24437    -0.57130
   18    16 S   N    _N2_    18     1.38592   111.66531   179.63523
   19    18 S   H    _HN2    19     1.01595   119.07174     1.07738
   20    18 S   CT1  _CA2    20     1.46184   123.43702   179.91607
   21    20 S   HC   _HA2    21     1.09726   109.46579    -3.67322
   22    20 S   C    _C2_    22     1.53515   108.64483  -119.41001
   23    22 S   O    _O2_    23     1.23054   122.18149  -146.65351
   24    20 S   CT   _CB2    32     1.53371   111.34878   118.39757
   25    24 S   HC   HB21    33     1.09417   109.37888    56.70700
   26    24 S   HC   HB22    34     1.09478   109.77347   175.00437
   27    22 S   N    _N3_    24     1.38491   113.56171    40.83181
   28    27 S   H    _HN3    25     1.01493   118.97276    -0.62464
   29    24 S   S    _SG2    35     1.83383   111.48592   -65.79965
   30    27 S   CT   _CA3    26     1.45429   123.35971   175.14159
   31    30 S   HC   HA31    27     1.09528   109.19885    26.09814
   32    30 S   HC   HA32    28     1.09496   107.16385   143.07821
   33    29 S   CT   _C23    36     1.84499   101.98487   156.50356
   34    33 S   HC   _H8_    37     1.08353   104.25245  -176.88964
   35    30 S   CO3  _C3_    29     1.52902   113.00464   -97.34146
   36    35 S   O2Z  _O31    30     1.26408   115.32724   -47.23453
   37    35 S   O2Z  _O32    31     1.26345   115.02974   133.64872
   38    33 S   CM   _C24    38     1.50429   112.46949   -59.88105
   39    38 S   CMA  _C25    39     1.34793   113.37317   129.84357
   40    39 S   OM   _O37    40     1.26066   133.88259   176.98520
   41    38 S   CT   _C26    97     1.49838   120.70659   -54.53568
   42    41 S   HC   _H30    98     1.09489   110.18783   -49.35998
   43    41 S   HC   _H31    99     1.09467   112.26609  -168.86378
   44    41 S   HC   _H32   100     1.09384   111.00321    70.97232
   45    39 S   CT   _C17    41     1.53665   110.81039     0.33804
   46    45 S   CT   _C16    42     1.56356   114.02646  -126.25669
   47    46 S   HC   _H23    43     1.09974   107.12010    27.22077
   48    46 S   HC   _H24    44     1.09818   109.51926   -88.08655
   49    33 S   CT   _C18    58     1.54559   114.54272    58.62572
   50    49 S   HC   _H5_    59     1.09589   101.90523   -21.25393
   51    45 S   OH   _O38    95     1.42778   107.84269   112.68186
   52    51 S   HO   _H33    96     0.97400   106.52445    46.53314
   53    46 S   CM   _C15    45     1.52924   119.72885   147.13863
   54    53 S   CM   _C14    46     1.34980   126.62309    20.01620
   55    54 S   HC   _H22    47     1.08884   117.55144  -177.44779
   56    53 S   CT   _C27    90     1.51195   114.10909  -156.99340
   57    56 S   HC   _H34    91     1.09506   112.35178   177.87938
   58    56 S   HC   _H35    92     1.09546   110.17264    57.49326
   59    54 S   CT   _C13    48     1.51662   126.59085     7.99849
   60    59 S   HC   _H4_    49     1.09514   102.58983    50.51166
   61    56 S   OH   _O39    93     1.42129   109.39060   -62.19067
   62    61 S   HO   _H36    94     0.97211   106.94893   176.72081
   63    59 S   C3T  _C9_    50     1.52017   112.59275   164.03591
   64    63 S   HC   _H3_    51     1.08583   111.80618    26.70806
   65    63 S   C3T  _C8_    52     1.51086   120.18903   166.60464
   66    65 S   CT   _C21    53     1.51244   119.23411    -4.27476
   67    66 S   HC   _H7_    54     1.09824   106.95714  -115.32735
   68    63 S   C3T  _C10    68     1.52406   121.70150  -120.74705
   69    65 S   OS   _O34    77     1.45535   119.46309  -148.53361
   70    66 S   CT   _C20    55     1.56160   116.61358     5.29676
   71    70 S   HC   _H6_    56     1.09385   107.77067    82.84915
   72    66 S   OH   _O35    66     1.42924   107.92578   130.48209
   73    72 S   HO   _H25    67     0.97112   107.98684   155.93912
   74    68 S   CT   _C11    69     1.51684   115.42561   140.82975
   75    74 S   HC   _H16    70     1.09501   110.18783   148.08332
   76    74 S   HC   _H17    71     1.09519   112.59186    27.46203
   77    74 S   HC   _H18    72     1.09529   110.25454   -92.35054
   78    68 S   CT   _C12    73     1.50828   122.75075    -1.03439
   79    78 S   HC   _H19    74     1.09565   109.92345  -162.21470
   80    78 S   HC   _H20    75     1.09546   109.96272    79.18864
   81    78 S   HC   _H21    76     1.08852   114.56558   -41.90771
   82    69 S   CO4  _C7_    78     1.36517   119.87923    60.10524
   83    82 S   O    _O33    79     1.22170   126.24532    -1.24960
   84    59 S   CT   _C19    57     1.58229   116.60507   -66.40015
   85    70 S   CT   _C22    62     1.53283   107.89288  -165.26310
   86    85 S   HC   _H26    63     1.09423   111.64134    74.13871
   87    85 S   HC   _H27    64     1.09450   111.85671   -46.03374
   88    85 S   HC   _H28    65     1.09342   110.62913  -162.75755
   89    82 S   CT   _C6_    80     1.51139   108.63219   179.08871
   90    89 S   HC   _H14    81     1.09582   108.16378   -58.85738
   91    89 S   HC   _H15    82     1.09585   108.14966    59.10789
   92    84 S   OH   _O36    60     1.43588   110.03339   -78.42437
   93    92 S   HO   _H29    61     0.97234   108.33013    49.99428
   94    89 S   CT   _C5_    83     1.52648   111.98308  -179.86878
   95    94 S   HC   _H12    84     1.09663   109.94886   -58.66389
   96    94 S   HC   _H13    85     1.09663   109.94744    58.59515
   97    94 S   CT   _C4_    86     1.51987   111.51449   179.97202
   98    97 S   HC   _H9_    87     1.09468   110.99836   -60.26247
   99    97 S   HC   _H10    88     1.09468   110.99742    60.25880
  100    97 S   HC   _H11    89     1.09449   110.26694   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   9   5   4   3
  17   7   2   1   1  12  15   5   5   2   1   1  14  15   6   5
  15   5   3   1  11  14   5   5   3   2  15   7   1   1  19   7
  21  16   8  13  10  10   7   3   1   7   3   2   1   3   2   1
   1   8   4   6   4   2   1   1   9   5   4   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    84    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    59    70    84    49    50    92    51    41    42    43    44  
   38    39    45    84    49    50    41  
   36    37  
   37  
    0  
   39    40    45    46    84    49    50    51    41    42    43    44  
   40    45    46    47    48    53    84    49    50    51    52    41    42    43    44  
   45    46    49    51    41  
   42    43    44    45    49  
   43    44  
   44  
    0  
   46    47    48    53    54    59    70    84    49    50    92    56    51    52  
   47    48    53    54    55    59    84    49    50    56    57    58    61    51    52  
   48    53    54    49    56    51  
   53    54    49    56    51  
   50    92    93    85    51    52    53    54    59    60    63    66    70    71    84  
   92    51    59    70    84  
   52    53    84  
    0  
   54    55    59    60    63    84    56    57    58    61    62  
   55    59    60    63    64    65    70    84    92    68    56    57    58    61  
   59    60    63    84    56  
   57    58    61    62    59  
   58    61    62  
   61    62  
   60    63    64    65    66    70    71    84    92    93    85    68    74    78    69  
   63    64    65    70    84    92    68  
   62  
    0  
   64    65    66    67    70    84    92    72    68    74    75    76    77    78    79    80    81    69    82  
   65    66    84    68    74    78    69  
   66    67    70    71    84    85    72    73    68    74    75    76    77    78    79    80    81    69    82    83    89  
   67    70    71    84    92    85    86    87    88    72    73    68    74    78    69    82  
   70    71    84    85    72    73    68    69  
   74    75    76    77    78    79    80    81    69    82    70    72    84  
   82    83    89    90    91    94    70    72    74    78  
   71    84    92    93    85    86    87    88    72    73  
   84    92    85    86    87    88    72  
   73    84    85  
    0  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    89    90    91    94    95    96    97  
   89    90    91    94  
   92    93    85    86    87    88  
   86    87    88    92  
   87    88  
   88  
    0  
   90    91    94    95    96    97    98    99   100  
   91    94    95    96    97  
   94    95    96    97  
   93  
    0  
   95    96    97    98    99   100  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    49   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   268.000  1.529
   45    49   268.000  1.529
   45    51   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.510
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    63   275.000  1.510
   59    84   268.000  1.529
   63    64   340.000  1.088
   63    65   260.000  1.509
   63    68   260.000  1.509
   65    66   275.000  1.510
   65    68   260.000  1.509
   65    69   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    84   268.000  1.529
   70    85   268.000  1.529
   84    49   268.000  1.529
   84    92   320.000  1.410
   49    50   340.000  1.090
   92    93   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   72    73   553.000  0.945
   68    74   275.000  1.510
   68    78   275.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    82   214.000  1.327
   82    83   570.000  1.229
   82    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   320.000  1.410
   61    62   553.000  0.945
   51    52   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    49    45    58.35000  112.70000
   33    49    84    58.35000  112.70000
   33    49    50    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    70.00000  112.02700
   39    45    49    70.00000  112.02700
   39    45    51    90.00000  110.39200
   45    39    40    85.00000  112.85300
   45    46    47    37.50000  110.70000
   45    46    48    37.50000  110.70000
   45    46    53    70.00000  112.02700
   45    49    84    58.35000  112.70000
   45    49    50    37.50000  110.70000
   45    51    52    55.00000  108.50000
   46    53    54    70.00000  124.00000
   46    53    56    65.00000  117.92700
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    59    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    90.00000  110.39200
   54    59    60    35.00000  109.50000
   54    59    63    70.00000  112.02700
   54    59    84    70.00000  112.02700
   59    54    55    35.00000  117.00000
   59    63    64    40.00000  115.04500
   59    63    65    60.00000  120.94000
   59    63    68    60.00000  120.94000
   59    84    70    58.35000  112.70000
   59    84    49    58.35000  112.70000
   59    84    92    50.00000  109.50000
   63    59    60    45.00000  109.38400
   63    65    66    60.00000  120.94000
   63    65    68    10.00000   60.00500
   63    65    69    50.00000  109.50000
   63    68    65    10.00000   60.00500
   63    68    74    60.00000  120.94000
   63    68    78    60.00000  120.94000
   65    63    64    37.50000  117.20000
   65    66    67    45.00000  109.38400
   65    66    70    70.00000  112.37300
   65    66    72    50.00000  109.50000
   65    68    74    60.00000  120.94000
   65    68    78    60.00000  120.94000
   65    69    82    83.00000  116.90000
   66    70    71    37.50000  110.70000
   66    70    84    58.35000  112.70000
   66    70    85    58.35000  112.70000
   66    72    73    55.00000  108.50000
   70    66    67    37.50000  110.70000
   70    84    49    58.35000  112.70000
   70    84    92    50.00000  109.50000
   70    85    86    37.50000  110.70000
   70    85    87    37.50000  110.70000
   70    85    88    37.50000  110.70000
   84    59    60    37.50000  110.70000
   84    59    63    70.00000  112.37300
   84    70    71    37.50000  110.70000
   84    49    50    37.50000  110.70000
   84    92    93    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    45    46    58.35000  112.70000
   92    84    49    50.00000  109.50000
   85    70    71    37.50000  110.70000
   85    70    84    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   68    63    64    37.50000  117.20000
   68    63    65    10.00000   60.00500
   68    65    66    60.00000  120.94000
   68    74    75    45.00000  109.38400
   68    74    76    45.00000  109.38400
   68    74    77    45.00000  109.38400
   68    78    79    45.00000  109.38400
   68    78    80    45.00000  109.38400
   68    78    81    45.00000  109.38400
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    68    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   69    65    66    50.00000  109.50000
   69    65    68    50.00000  109.50000
   69    82    83    83.00000  123.40000
   69    82    89    81.00000  111.40000
   82    89    90    35.00000  109.50000
   82    89    91    35.00000  109.50000
   82    89    94    63.00000  111.10000
   89    82    83    80.00000  120.40000
   89    94    95    37.50000  110.70000
   89    94    96    37.50000  110.70000
   89    94    97    58.35000  112.70000
   91    89    90    33.00000  107.80000
   94    89    90    37.50000  110.70000
   94    89    91    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   56    53    54    70.00000  124.00000
   56    61    62    55.00000  108.50000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   51    45    46    50.00000  109.50000
   51    45    49    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
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   69    82    89    94   0.36750  1.0 3.0
   82    89    94    95  -0.11250  1.0 3.0
   82    89    94    96  -0.11250  1.0 3.0
   82    89    94    97  -0.95700  1.0 1.0
   82    89    94    97  -0.18200 -1.0 2.0
   82    89    94    97   0.29450  1.0 3.0
   83    82    89    90   0.00000  1.0 1.0
   83    82    89    91   0.00000  1.0 1.0
   83    82    89    94   0.30150 -1.0 2.0
   89    94    97    98   0.15000  1.0 3.0
   89    94    97    99   0.15000  1.0 3.0
   89    94    97   100   0.15000  1.0 3.0
   90    89    94    95   0.15000  1.0 3.0
   90    89    94    96   0.15000  1.0 3.0
   90    89    94    97   0.15000  1.0 3.0
   91    89    94    95   0.15000  1.0 3.0
   91    89    94    96   0.15000  1.0 3.0
   91    89    94    97   0.15000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    59   7.00000 -1.0 2.0
   57    56    61    62   0.19450  1.0 3.0
   58    56    61    62   0.19450  1.0 3.0
   51    45    46    47   0.23400  1.0 3.0
   51    45    46    48   0.23400  1.0 3.0
   51    45    46    53   1.05650  1.0 1.0
   51    45    46    53   0.15600 -1.0 2.0
   51    45    46    53   0.53150  1.0 3.0
   51    45    49    33   0.86500  1.0 1.0
   51    45    49    33  -0.17500 -1.0 2.0
   51    45    49    33   0.20800  1.0 3.0
   51    45    49    84   0.86500  1.0 1.0
   51    45    49    84  -0.17500 -1.0 2.0
   51    45    49    84   0.20800  1.0 3.0
   51    45    49    50   0.23400  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
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
   33    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
   46    56    53    54   1.10000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   69    89    82    83  10.50000 -1.0 2.0
END
