* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    223     430
    1     0 S   NP   _N1_     1    28.58012    96.30153   -23.71327
    2     1 S   H    _HN1     2     1.02786   104.62139   -95.72625
    3     1 S   H    _H1_     3     1.02950    74.95744     9.76968
    4     1 S   H    _H2_     4     1.02828    35.54801   163.83506
    5     1 S   CT   _CA1     5     1.50121   137.91433   113.69048
    6     5 S   HC   _HA1     6     1.09574   105.18718    87.75217
    7     5 S   CO3  _C1_     7     1.53784   112.46795   -32.46777
    8     7 S   O2Z  _O11     8     1.26373   115.00466   -42.29990
    9     7 S   O2Z  _O12     9     1.26240   114.94320   136.80129
   10     5 S   CT   _CB1    10     1.53073   107.40796  -154.27433
   11    10 S   HC   HB11    11     1.09835   109.34695   -49.70392
   12    10 S   HC   HB12    12     1.09814   110.45422    66.89556
   13    10 S   CT   _CG1    13     1.52994   112.62608  -170.68240
   14    13 S   HC   HG11    14     1.09582   110.64014   -66.10534
   15    13 S   HC   HG12    15     1.09671   109.78257    53.13665
   16    13 S   C    _CD1    16     1.51800   112.18788   173.57267
   17    16 S   O    _OE1    17     1.22737   123.26755     7.47790
   18    16 S   N    _N2_    18     1.38639   111.69029  -172.55856
   19    18 S   H    _HN2    19     1.01578   118.97152     1.45212
   20    18 S   CT1  _CA2    20     1.46236   123.41391   177.50299
   21    20 S   HC   _HA2    21     1.09736   109.36367     3.82085
   22    20 S   C    _C2_    22     1.53575   108.55097  -111.66879
   23    22 S   O    _O2_    23     1.23047   122.33599  -147.63055
   24    20 S   CT   _CB2    32     1.53418   111.55094   125.82448
   25    24 S   HC   HB21    33     1.09476   109.57709    57.03418
   26    24 S   HC   HB22    34     1.09431   109.78056   175.89039
   27    22 S   N    _N3_    24     1.38353   113.70812    39.80694
   28    27 S   H    _HN3    25     1.01571   119.58498    -3.23973
   29    24 S   S    _SG2    35     1.83267   111.03819   -64.18505
   30    27 S   CT   _CA3    26     1.45280   123.21860   177.19984
   31    30 S   HC   HA31    27     1.09548   107.50367   -64.82918
   32    30 S   HC   HA32    28     1.09557   107.99640    51.61566
   33    29 S   CT   _C18    36     1.87524   101.42241   175.75998
   34    30 S   CO3  _C3_    29     1.52964   114.07248   173.61703
   35    34 S   O2Z  _O31    30     1.26376   116.07206    -0.66086
   36    34 S   O2Z  _O32    31     1.26428   114.41176   179.39964
   37    33 S   CM   _C10    37     1.49403   107.97040    61.59846
   38    37 S   HC   _H31    38     1.09378   114.22180    56.89680
   39    33 S   CT   _C24    55     1.56479   108.32581  -176.89922
   40    39 S   HC   _H48    56     1.09912   108.64374    62.03558
   41    37 S   CMA  _C11    39     1.35034   129.17042  -123.44904
   42    41 S   OM   _O22    40     1.26679   123.62007   179.72164
   43    39 S   CT   _C23    57     1.54527   113.06270  -177.41480
   44    43 S   HC   _H46    58     1.09750   110.19411    72.54610
   45    43 S   HC   _H47    59     1.09358   111.34504   -45.01415
   46    39 S   OS   _O27    71     1.45441   109.14277   -58.33473
   47    41 S   CA   _C6_    41     1.52167   115.06170    -0.50007
   48    43 S   CM   _C14    60     1.50635   112.02694  -168.40685
   49    48 S   HC   _H33    61     1.08911   114.51692   -85.04765
   50    46 S   CO4  _C17    72     1.35953   118.34798   128.55239
   51    50 S   O    _O24    73     1.21884   127.14983     1.57731
   52    47 S   CA   _C7_    42     1.41485   122.26121     4.03643
   53    48 S   CM   _C16    62     1.34654   127.07785    95.66189
   54    50 S   CM   _C13    74     1.48209   106.95217  -179.21665
   55    54 S   HC   _H32    75     1.08766   115.10253   -21.90985
   56    52 S   CA   _C9_    43     1.41457   120.60412   179.57710
   57    33 S   CO4  _C12    53     1.52160   106.55355   -60.70536
   58    57 S   O    _O23    54     1.23128   121.26549   -54.68784
   59    53 S   CT   _C21    63     1.50486   120.57909   178.79293
   60    59 S   HC   _H40    64     1.09493   110.28395   119.11129
   61    59 S   HC   _H41    65     1.09494   110.20992  -121.05937
   62    59 S   HC   _H42    66     1.09512   112.38184    -1.00132
   63    53 S   CT   _C22    67     1.50300   124.82923    -2.13598
   64    63 S   HC   _H43    68     1.09477   110.10582   114.65107
   65    63 S   HC   _H44    69     1.09261   113.43481    -6.39749
   66    63 S   HC   _H45    70     1.09536   110.05480  -125.98903
   67    54 S   CM   _C15    76     1.34548   125.39263   158.99964
   68    56 S   CA   _C5_    44     1.39036   121.30230     0.11191
   69    68 S   HA   _H30    45     1.08627   120.68734   179.91607
   70    56 S   OH   _O26    51     1.37142   123.95311   179.79442
   71    70 S   HO   _H50    52     0.97330   109.02904     1.28907
   72    67 S   CT   _C19    77     1.50697   119.81998   177.53884
   73    72 S   HC   _H34    78     1.09498   110.32400   118.31109
   74    72 S   HC   _H35    79     1.09520   112.44172    -1.85709
   75    72 S   HC   _H36    80     1.09505   110.16395  -121.84875
   76    67 S   CT   _C20    81     1.50340   126.11180    -3.30429
   77    76 S   HC   _H37    82     1.09452   110.15154   105.17661
   78    76 S   HC   _H38    83     1.09177   113.50391   -16.86331
   79    76 S   HC   _H39    84     1.09583   110.12640  -135.59506
   80    68 S   CA   _C4_    46     1.38291   119.38709     0.04423
   81    80 S   HA   _H29    47     1.08671   119.78108   179.89532
   82    47 S   CA   _C8_    48     1.42364   121.69303  -176.20899
   83    82 S   OH   _O25    49     1.37513   123.47989     0.53155
   84    83 S   HO   _H49    50     0.97530   107.50040    -1.18101
  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  11   5   4   3
  17   2   1   1  12   5  15   7   8   3  10   5   4   7  11  10
   3   6   3  10   8  10   3   9   4   1   7   3   2   1   3   2
   1   1   8   7   4   2   1   7   3   2   1   3   2   1   1   4
   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    57    58    39    40    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    52    56    57    58    39    40    43    44    45    48    46    50  
   35    36  
   36  
    0  
   38    41    42    47    52    82    57    58    39    40    43    46  
   41    42    47    57    39  
   40    43    44    45    48    49    53    46    50    51    54    41    52    57    58  
   43    44    45    48    46    50    57  
   42    47    52    56    80    82    83    57  
   47    52    82  
   44    45    48    49    53    59    63    46    50    57  
   45    48    49    53    46  
   48    49    53    46  
   50    51    54    55    67    48    57  
   52    56    68    80    81    82    83    84    70    57    58  
   49    53    59    60    61    62    63    64    65    66  
   53    59    63  
   51    54    55    67    72    76  
   54    55    67  
   56    68    69    80    82    83    70    71    57    58  
   59    60    61    62    63    64    65    66  
   55    67    72    73    74    75    76    77    78    79  
   67    72    76  
   68    69    80    81    82    70    71    57    58  
   58    68    70    82  
    0  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   72    73    74    75    76    77    78    79  
   69    80    81    82    83    70    71  
   80    81    82    70  
   71    80  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   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   317.000  1.510
   33    57   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    47   320.000  1.460
   47    52   469.000  1.400
   47    82   469.000  1.400
   52    56   469.000  1.400
   52    57   310.000  1.470
   56    68   469.000  1.400
   56    70   450.000  1.364
   68    69   367.000  1.080
   68    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   450.000  1.364
   83    84   553.000  0.945
   70    71   553.000  0.945
   57    58   570.000  1.229
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    59   317.000  1.510
   53    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    50   214.000  1.327
   50    51   570.000  1.229
   50    54   320.000  1.462
   54    55   340.000  1.080
   54    67   549.000  1.340
   67    72   317.000  1.510
   67    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    57    52    65.00000  115.47100
   33    57    58    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    46    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    47    60.00000  123.20500
   41    37    38    40.00000  120.50800
   41    47    52    60.00000  120.93500
   41    47    82    60.00000  120.93500
   47    41    42    85.00000  114.86500
   47    52    56    63.00000  120.00000
   47    52    57    60.00000  119.52600
   47    82    80    63.00000  120.00000
   47    82    83    70.00000  120.00000
   52    56    68    63.00000  120.00000
   52    56    70    70.00000  120.00000
   52    57    58    75.00000  123.78400
   56    68    69    35.00000  120.00000
   56    68    80    63.00000  120.00000
   56    70    71    35.00000  113.00000
   68    80    81    35.00000  120.00000
   68    80    82    63.00000  120.00000
   80    68    69    35.00000  120.00000
   80    82    83    70.00000  120.00000
   82    47    52    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  113.00000
   70    56    68    70.00000  120.00000
   57    33    37    70.00000  109.06800
   57    52    56    60.00000  119.52600
   39    33    37    70.00000  112.02700
   39    33    57    63.00000  111.10000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    70.00000  112.02700
   39    46    50    83.00000  116.90000
   43    39    40    37.50000  110.70000
   43    48    49    35.00000  117.00000
   43    48    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    59    70.00000  124.00000
   48    53    63    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    62    35.00000  109.50000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    53    59    65.00000  117.92700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    43    50.00000  109.50000
   46    50    51    83.00000  123.40000
   46    50    54    90.00000  111.29400
   50    54    55    40.00000  117.72500
   50    54    67    65.00000  118.96000
   54    50    51    80.00000  123.72100
   54    67    72    70.00000  124.00000
   54    67    76    70.00000  124.00000
   67    54    55    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   67    76    77    35.00000  109.50000
   67    76    78    35.00000  109.50000
   67    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    67    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    57    52   0.65300  1.0 1.0
   29    33    57    52  -0.03850 -1.0 2.0
   29    33    57    52   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    48   0.34400  1.0 1.0
   33    39    43    48   0.09450 -1.0 2.0
   33    39    43    48   0.11100  1.0 3.0
   33    39    46    50  -0.25900  1.0 1.0
   33    39    46    50  -0.47000 -1.0 2.0
   33    39    46    50   0.11750  1.0 3.0
   37    33    57    52   0.65300  1.0 1.0
   37    33    57    52  -0.03850 -1.0 2.0
   37    33    57    52   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    46   0.61850  1.0 1.0
   37    33    39    46  -0.22750 -1.0 2.0
   37    33    39    46   0.15300  1.0 3.0
   37    41   -47    52   0.15800  1.0 1.0
   37    41   -47    52   1.85350 -1.0 2.0
   37    41   -47    52  -0.48700  1.0 3.0
   37    41    47    82   0.15800  1.0 1.0
   37    41    47    82   1.85350 -1.0 2.0
   37    41    47    82  -0.48700  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    47    52    56   3.62500 -1.0 2.0
   41    47    52    57   3.62500 -1.0 2.0
   41    47    82    80   3.62500 -1.0 2.0
   41    47    82    83   3.62500 -1.0 2.0
   42    41    47    52  -0.01750  1.0 1.0
   42    41    47    52  -0.32000 -1.0 2.0
   42    41    47    52   0.00600  1.0 3.0
   42    41    47    82  -0.01750  1.0 1.0
   42    41    47    82  -0.32000 -1.0 2.0
   42    41    47    82   0.00600  1.0 3.0
   47    52    56    68   3.62500 -1.0 2.0
   47    52    56    70   3.62500 -1.0 2.0
   47    52   -57    33   2.26350  1.0 1.0
   47    52   -57    33   0.76750 -1.0 2.0
   47    52   -57    33   0.22500  1.0 3.0
   47    52    57    58   1.05000 -1.0 2.0
   47    82    83    84   0.84100 -1.0 2.0
   52    47    82    80   3.62500 -1.0 2.0
   52    47    82    83   3.62500 -1.0 2.0
   52    56    68    69   3.62500 -1.0 2.0
   52    56   -68    80   3.62500 -1.0 2.0
   52    56    70    71   0.84100 -1.0 2.0
   56    52    57    33   2.26350  1.0 1.0
   56    52    57    33   0.76750 -1.0 2.0
   56    52    57    33   0.22500  1.0 3.0
   56    52    57    58   1.05000 -1.0 2.0
   56    68    80    81   3.62500 -1.0 2.0
   56    68    80    82   3.62500 -1.0 2.0
   68    56    70    71   0.84100 -1.0 2.0
   68    80   -82    47   3.62500 -1.0 2.0
   68    80    82    83   3.62500 -1.0 2.0
   69    68    80    81   3.62500 -1.0 2.0
   69    68    80    82   3.62500 -1.0 2.0
   80    82    83    84   0.84100 -1.0 2.0
   81    80    82    47   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    47   -52    56   3.62500 -1.0 2.0
   82    47    52    57   3.62500 -1.0 2.0
   70    56    68    69   3.62500 -1.0 2.0
   70    56    68    80   3.62500 -1.0 2.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    41  -0.51250  1.0 1.0
   57    33   -37    41  -0.88800 -1.0 2.0
   57    33   -37    41   0.08850  1.0 3.0
   57    33    39    40  -0.11250  1.0 3.0
   57    33    39    43  -0.95700  1.0 1.0
   57    33    39    43  -0.18200 -1.0 2.0
   57    33    39    43   0.29450  1.0 3.0
   57    33    39    46  -0.09450  1.0 1.0
   57    33    39    46  -1.12950 -1.0 2.0
   57    33    39    46   0.54000  1.0 3.0
   57    52    56    68   3.62500 -1.0 2.0
   57    52    56    70   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    57    52   0.05850 -1.0 2.0
   39    33    57    52   0.17250  1.0 3.0
   39    33    57    58   0.30150 -1.0 2.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    53   0.09850  1.0 1.0
   39    43    48    53   0.15250 -1.0 2.0
   39    43    48    53  -0.50650  1.0 3.0
   39    46    50    51   3.00000 -1.0 2.0
   39    46    50    54   2.00000 -1.0 2.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   40    39    46    50   0.08050  1.0 3.0
   43    39    46    50  -0.25900  1.0 1.0
   43    39    46    50  -0.47000 -1.0 2.0
   43    39    46    50   0.11750  1.0 3.0
   43    48    53    59   7.00000 -1.0 2.0
   43    48    53    63   7.00000 -1.0 2.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.33100  1.0 3.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    59    60   0.00000  1.0 1.0
   48    53    59    61   0.00000  1.0 1.0
   48    53    59    62   0.00000  1.0 1.0
   48    53    63    64   0.00000  1.0 1.0
   48    53    63    65   0.00000  1.0 1.0
   48    53    63    66   0.00000  1.0 1.0
   49    48    53    59   7.00000 -1.0 2.0
   49    48    53    63   7.00000 -1.0 2.0
   59    53    63    64   0.34800  1.0 3.0
   59    53    63    65   0.34800  1.0 3.0
   59    53    63    66   0.34800  1.0 3.0
   63    53    59    60   0.34800  1.0 3.0
   63    53    59    61   0.34800  1.0 3.0
   63    53    59    62   0.34800  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    48   0.61850  1.0 1.0
   46    39    43    48  -0.22750 -1.0 2.0
   46    39    43    48   0.15300  1.0 3.0
   46    50    54    55   1.63100 -1.0 2.0
   46    50    54    67  -0.56150  1.0 1.0
   46    50    54    67   2.19150 -1.0 2.0
   50    54    67    72   7.00000 -1.0 2.0
   50    54    67    76   7.00000 -1.0 2.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    67   1.00000 -1.0 2.0
   54    67    72    73   0.00000  1.0 1.0
   54    67    72    74   0.00000  1.0 1.0
   54    67    72    75   0.00000  1.0 1.0
   54    67    76    77   0.00000  1.0 1.0
   54    67    76    78   0.00000  1.0 1.0
   54    67    76    79   0.00000  1.0 1.0
   55    54    67    72   7.00000 -1.0 2.0
   55    54    67    76   7.00000 -1.0 2.0
   72    67    76    77   0.34800  1.0 3.0
   72    67    76    78   0.34800  1.0 3.0
   72    67    76    79   0.34800  1.0 3.0
   76    67    72    73   0.34800  1.0 3.0
   76    67    72    74   0.34800  1.0 3.0
   76    67    72    75   0.34800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   52    82    47    41   4.00000 -1.0 2.0
   56    57    52    47   4.00000 -1.0 2.0
   68    70    56    52   4.00000 -1.0 2.0
   80    69    68    56   1.10000 -1.0 2.0
   82    81    80    68   1.10000 -1.0 2.0
   80    83    82    47   4.00000 -1.0 2.0
   33    52    57    58  10.50000 -1.0 2.0
   43    49    48    53  15.00000 -1.0 2.0
   59    63    53    48  15.00000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   50    55    54    67  15.00000 -1.0 2.0
   72    76    67    54  15.00000 -1.0 2.0
END
