* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    190    313     577
    1     0 S   NP   _N1_     1    32.39097   103.43787   -22.49133
    2     1 S   H    _HN1     2     1.03474   132.62026   -63.43491
    3     1 S   H    _H1_     3     1.02862    28.35964   -98.74871
    4     1 S   H    _H2_     4     1.02753   105.52115   163.49082
    5     1 S   CT   _CA1     5     1.50181    85.98793    52.75208
    6     5 S   HC   _HA1     6     1.09535   104.86453   163.79412
    7     5 S   CO3  _C1_     7     1.53665   113.27594    43.16110
    8     7 S   O2Z  _O11     8     1.26424   115.05315   -31.26060
    9     7 S   O2Z  _O12     9     1.26212   115.10888   148.08531
   10     5 S   CT   _CB1    10     1.52982   107.36673   -77.63010
   11    10 S   HC   HB11    11     1.09504   109.47863   -37.72649
   12    10 S   HC   HB12    12     1.09839   110.57671    77.89593
   13    10 S   CT   _CG1    13     1.53204   113.04375  -160.04252
   14    13 S   HC   HG11    14     1.09529   111.06884   -89.79566
   15    13 S   HC   HG12    15     1.09552   111.33049    29.58973
   16    13 S   C    _CD1    16     1.51555   109.05580   150.11901
   17    16 S   O    _OE1    17     1.22827   121.79195    85.69798
   18    16 S   N    _N2_    18     1.38596   112.59308   -90.62489
   19    18 S   H    _HN2    19     1.01625   119.05834    -6.81097
   20    18 S   CT1  _CA2    20     1.46256   123.55725   172.40436
   21    20 S   HC   _HA2    21     1.09711   109.14486    -9.43090
   22    20 S   C    _C2_    22     1.53834   109.11401  -125.28434
   23    22 S   O    _O2_    23     1.23086   121.98095  -158.86670
   24    20 S   CT   _CB2    32     1.53481   111.71570   112.88121
   25    24 S   HC   HB21    33     1.09269   109.13668    60.88485
   26    24 S   HC   HB22    34     1.09534   110.38201   178.29177
   27    22 S   N    _N3_    24     1.38290   114.10636    27.53287
   28    27 S   H    _HN3    25     1.01421   119.01653    -2.14785
   29    24 S   S    _SG2    35     1.82972   111.36018   -62.92409
   30    27 S   CT   _CA3    26     1.45303   123.58776   178.44053
   31    30 S   HC   HA31    27     1.09548   107.25369   -69.45784
   32    30 S   HC   HA32    28     1.09555   108.17464    46.90410
   33    29 S   CT   _C20    36     1.92025   102.70732   138.89467
   34    30 S   CO3  _C3_    29     1.53090   114.35182   169.01147
   35    34 S   O2Z  _O31    30     1.26438   116.38648    -4.54355
   36    34 S   O2Z  _O32    31     1.26408   114.41884   175.53573
   37    33 S   CM   _C6_    37     1.52440   104.80946   -56.79047
   38    37 S   HC   _H35    38     1.08781   118.14013    96.40209
   39    33 S   CT   _C18    53     1.54232   109.35735    66.14484
   40    39 S   F    _F31    54     1.36228   110.70872   -58.85557
   41    39 S   HC   _H47    55     1.09518   110.49764  -175.39164
   42    37 S   CMA  _C7_    39     1.35244   122.30548   -82.91662
   43    42 S   OM   _O25    40     1.25848   131.15485   178.35634
   44    42 S   CM   _C4_    41     1.46814   117.20847    -0.61834
   45    44 S   HC   _H33    42     1.08833   119.30751   160.79022
   46    44 S   CM   _C5_    43     1.34794   121.93042   -20.07445
   47    46 S   HC   _H34    44     1.08392   118.82270  -177.59377
   48    33 S   CT   _C19    45     1.60100   110.99689  -174.43947
   49    48 S   CT   _C15    46     1.58168   108.94097   -59.13304
   50    49 S   HC   _H44    47     1.09817   106.96513    58.91197
   51    48 S   CT   _C25    94     1.56373   111.13378   178.99517
   52    51 S   HC   _H54    95     1.09224   113.09091    76.24491
   53    51 S   HC   _H55    96     1.09558   112.50960   -43.92023
   54    51 S   HC   _H56    97     1.09562   111.74840  -162.46327
   55    49 S   CT   _C14    48     1.56960   111.32905   -56.89822
   56    55 S   HC   _H43    49     1.09366   109.43516   -68.44656
   57    49 S   CT   _C17    68     1.55876   116.82100   173.60469
   58    57 S   HC   _H46    69     1.09528   108.98918   -60.67028
   59    55 S   CT   _C11    50     1.53904   113.07469    49.94082
   60    59 S   HC   _H38    51     1.09671   110.38859    76.83765
   61    59 S   HC   _H39    52     1.09756   109.63938  -168.46355
   62    55 S   CT   _C13    56     1.53822   107.98100   173.25570
   63    62 S   HC   _H42    57     1.10128   105.29845   -57.13944
   64    57 S   OH   _O28    70     1.41937   111.74806    56.78243
   65    64 S   HO   _H62    71     0.97229   107.79585  -175.25162
   66    62 S   CT   _C10    58     1.52477   118.79806  -174.97067
   67    66 S   HC   _H36    59     1.09646   110.85602   -42.56781
   68    66 S   HC   _H37    60     1.09524   111.54474    76.98060
   69    66 S   CT   _C16    61     1.54882   104.68194  -161.10915
   70    69 S   HC   _H45    62     1.09779   106.27466   123.77973
   71    69 S   CT   _C21    63     1.57103   106.34456     6.50973
   72    69 S   CT   _C24    90     1.52651   112.19229  -119.97382
   73    72 S   HC   _H51    91     1.09447   112.09397    55.66590
   74    72 S   HC   _H52    92     1.09545   110.22963   -63.77869
   75    72 S   HC   _H53    93     1.09460   110.84429   176.97521
   76    62 S   CT   _C22    64     1.55067   113.80308    61.64775
   77    71 S   CO4  _C8_    76     1.54075   111.78001   146.84707
   78    77 S   O    _O26    77     1.23329   121.65390    -4.12844
   79    71 S   OH   _O29    88     1.42677   111.02928   -97.38366
   80    79 S   HO   _H63    89     0.97061   109.50420    43.94376
   81    76 S   CT   _C12    65     1.54698   106.82976   -60.70390
   82    81 S   HC   _H40    66     1.09697   109.83327   -66.35567
   83    81 S   HC   _H41    67     1.09457   109.92311   176.52678
   84    76 S   CT   _C26    72     1.55320   113.08285    61.29891
   85    84 S   HC   _H57    73     1.09447   112.64387    67.36589
   86    84 S   HC   _H58    74     1.09106   113.38943   -52.91730
   87    84 S   HC   _H59    75     1.09549   110.69623  -173.03232
   88    77 S   CT   _C27    78     1.52156   117.71878   176.16268
   89    88 S   HC   _H60    79     1.09236   108.80825    74.14561
   90    88 S   HC   _H61    80     1.09351   109.83431   -48.00740
   91    88 S   OS   _O30    81     1.43087   108.66567  -167.25606
   92    91 S   CO4  _C9_    82     1.36250   115.25575  -178.21283
   93    92 S   O    _O27    83     1.22343   126.19671     0.05595
   94    92 S   CT   _C23    84     1.49833   109.63034  -179.96574
   95    94 S   HC   _H48    85     1.09289   109.83395   -60.98921
   96    94 S   HC   _H49    86     1.09380   109.35710   179.96044
   97    94 S   HC   _H50    87     1.09289   109.83557    60.92814
  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  12   5   4   3
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8   5
   1  14   6   5  14   8  20   6   2   1   1  12  10   5   4   1
   6   2   1   3   2   1   1   6   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    81    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    76    81    82    83    57    58    64    65    51    52    53    54  
   55    56    59    62    81    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    71    76    81    57    58    64    84  
   59    60    61    62    63    66    76    57  
   58    64    65    84    59    62    71    76    81    82    83  
   64    65    76    81    82    83  
   60    61    62    63    66    76  
   61    62  
   62  
   63    66    67    68    69    70    71    76    81    82    83    84    85    86    87    77    79    72  
   66    67    68    69    71    76    81    84  
   65    76    81    82    83  
   81  
   67    68    69    70    71    76    81    84    77    79    72    73    74    75  
   68    69    70    71    76    72  
   69    70    71    76    72  
   70    71    76    81    84    77    78    88    79    80    72    73    74    75  
   71    76    77    79    72    73    74    75  
   76    81    82    83    84    85    86    87    77    78    88    89    90    91    79    80    72    73    74    75  
   73    74    75    76    77    79  
   74    75  
   75  
    0  
   81    82    83    84    85    86    87    77    78    88    79    80  
   78    88    89    90    91    92    79    80    81    84  
   88    89    90    91    79  
   80    81    84    88  
    0  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92    93    94  
   90    91    92  
   91    92  
   92    93    94    95    96    97  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    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   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   41   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   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    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    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   367.000  1.332
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    76   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    72   268.000  1.529
   71    76   268.000  1.529
   71    77   317.000  1.522
   71    79   320.000  1.410
   76    81   268.000  1.529
   76    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   77    78   570.000  1.229
   77    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   320.000  1.410
   91    92   214.000  1.327
   92    93   570.000  1.229
   92    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   79    80   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    37.50000  110.70000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    81    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    76    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    50.00000  109.50000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    40.00000  107.00000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    76    71    58.35000  112.70000
   62    76    81    58.35000  112.70000
   62    76    84    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    76    58.35000  112.70000
   69    71    77    63.00000  111.10000
   69    71    79    50.00000  109.50000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   71    69    70    37.50000  110.70000
   71    76    81    58.35000  112.70000
   71    76    84    58.35000  112.70000
   71    77    78    80.00000  120.40000
   71    77    88    70.00000  116.00000
   71    79    80    55.00000  108.50000
   76    62    63    37.50000  110.70000
   76    62    66    58.35000  112.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    57    58.35000  112.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   81    57    58    37.50000  110.70000
   81    57    64    50.00000  109.50000
   83    81    82    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    55    58.35000  112.70000
   57    81    82    37.50000  110.70000
   57    81    83    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   84    76    81    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   77    71    76    63.00000  111.10000
   77    88    89    35.00000  109.50000
   77    88    90    35.00000  109.50000
   77    88    91    90.00000  108.74100
   88    77    78    80.00000  120.40000
   88    91    92    83.00000  116.90000
   90    88    89    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    90    35.00000  109.50000
   91    92    93    83.00000  123.40000
   91    92    94    81.00000  111.40000
   92    94    95    35.00000  109.50000
   92    94    96    35.00000  109.50000
   92    94    97    35.00000  109.50000
   94    92    93    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   79    71    76    50.00000  109.50000
   79    71    77    90.00000  109.61100
   72    69    70    37.50000  110.70000
   72    69    71    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
   29    33    48    49   0.44750  1.0 1.0
   29    33    48    49  -0.17800 -1.0 2.0
   29    33    48    49   0.20200  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
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   51    48    49    50   0.15000  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   0.20000  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    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   71    88    77    78  10.50000 -1.0 2.0
   91    94    92    93  10.50000 -1.0 2.0
END
