* LIGAND DATABASE FILE (OPLS2005)
*
001      96    99    194    319     590
    1     0 S   NP   _N1_     1    29.17346    94.95458   -18.39055
    2     1 S   H    _HN1     2     1.02964   104.56164    37.51561
    3     1 S   H    _H1_     3     1.02838    42.05645   136.99127
    4     1 S   H    _H2_     4     1.02779    69.05894   -66.84183
    5     1 S   CT   _CA1     5     1.50111   141.79123  -166.56308
    6     5 S   HC   _HA1     6     1.09563   105.31416    22.64056
    7     5 S   CO3  _C1_     7     1.53916   112.21422   -97.77739
    8     7 S   O2Z  _O11     8     1.26371   115.03141   -45.80360
    9     7 S   O2Z  _O12     9     1.26233   114.93119   133.34086
   10     5 S   CT   _CB1    10     1.53081   107.42329   140.70434
   11    10 S   HC   HB11    11     1.09817   109.69597   -48.87656
   12    10 S   HC   HB12    12     1.09841   110.22017    67.72144
   13    10 S   CT   _CG1    13     1.53036   112.62332  -169.96901
   14    13 S   HC   HG11    14     1.09571   110.23637   -55.60598
   15    13 S   HC   HG12    15     1.09590   110.34165    63.60188
   16    13 S   C    _CD1    16     1.51778   111.79915  -176.04265
   17    16 S   O    _OE1    17     1.22741   123.08739   -17.55562
   18    16 S   N    _N2_    18     1.38556   111.77451   162.47445
   19    18 S   H    _HN2    19     1.01589   119.02258     3.86265
   20    18 S   CT1  _CA2    20     1.46219   123.41451  -172.13830
   21    20 S   HC   _HA2    21     1.09730   109.30595   -19.74438
   22    20 S   C    _C2_    22     1.53346   108.33000  -135.70193
   23    22 S   O    _O2_    23     1.23002   122.31101  -145.69160
   24    20 S   CT   _CB2    32     1.53972   111.15519   102.24463
   25    24 S   HC   HB21    33     1.09141   109.25914    56.98884
   26    24 S   HC   HB22    34     1.09409   109.68537   174.56066
   27    22 S   N    _N3_    24     1.38528   113.26596    41.69316
   28    27 S   H    _HN3    25     1.01541   118.88521    -0.55001
   29    24 S   S    _SG2    35     1.83321   111.17391   -66.57981
   30    27 S   CT   _CA3    26     1.45442   123.39829   175.10859
   31    30 S   HC   HA31    27     1.09527   109.16717    25.58779
   32    30 S   HC   HA32    28     1.09493   107.13658   142.58180
   33    29 S   CT   _C17    36     1.90796   104.87802   151.61379
   34    30 S   CO3  _C3_    29     1.52931   113.17723   -97.84049
   35    34 S   O2Z  _O31    30     1.26397   115.43666   -43.78920
   36    34 S   O2Z  _O32    31     1.26360   114.96265   137.16138
   37    33 S   CT   _C18    37     1.56418   102.31776   156.58995
   38    37 S   HC   _H19    38     1.09730   111.37285   -53.41419
   39    37 S   HC   _H20    39     1.09428   111.90719  -172.07343
   40    33 S   CT   _C5_    56     1.56091   110.50249    40.28943
   41    40 S   HC   _H3_    57     1.09561   109.04922   -64.34383
   42    37 S   CO4  _C19    40     1.51305   113.81415    68.30513
   43    42 S   O    _O33    41     1.23059   121.54757  -136.48158
   44    40 S   CT   _C4_    58     1.54292   115.61778    56.00257
   45    44 S   HC   _H8_    59     1.09495   111.79910    67.31042
   46    44 S   HC   _H9_    60     1.09117   113.21881   -54.75328
   47    44 S   HC   _H10    61     1.09643   109.99414  -173.99156
   48    42 S   CT   _C20    42     1.50219   116.66471    49.52542
   49    48 S   HC   _H21    43     1.09261   108.34670    74.99064
   50    48 S   HC   _H22    44     1.09561   108.71324  -168.21364
   51    48 S   CT   _C21    45     1.51906   110.11762   -48.36456
   52    51 S   HC   _H23    46     1.08704   109.25941  -178.48742
   53    51 S   HC   _H24    47     1.09798   107.75235   -67.64069
   54    33 S   CT   _C16    48     1.62249   113.08907   -86.09176
   55    54 S   CT   _C15    49     1.61934   110.52921   178.43552
   56    55 S   HC   _H7_    50     1.09795   106.02012    64.70620
   57    54 S   CT   _C22    93     1.54724   111.87444    56.52808
   58    57 S   HC   _H25    94     1.09269   112.58936    64.50439
   59    57 S   HC   _H26    95     1.09015   111.98937   -57.72691
   60    57 S   HC   _H27    96     1.09327   111.64754  -173.48422
   61    55 S   CT   _C7_    51     1.57931   110.97746   -49.78667
   62    61 S   HC   _H4_    52     1.09493   108.81500   -68.69348
   63    55 S   CT   _C14    76     1.60233   119.46695  -177.60584
   64    61 S   CT   _C6_    53     1.52855   113.87271    50.40140
   65    64 S   HC   _H11    54     1.09690   109.94691    71.60060
   66    64 S   HC   _H12    55     1.09846   108.53451  -173.55305
   67    61 S   CT   _C8_    62     1.54089   109.17832   171.52931
   68    67 S   HC   _H5_    63     1.10398   105.81467   -55.49092
   69    63 S   CT   _C23    77     1.53563   115.18330   -59.13429
   70    69 S   HC   _H28    78     1.09215   112.02260    81.89437
   71    69 S   HC   _H29    79     1.09226   112.15719   -43.58578
   72    69 S   HC   _H30    80     1.09786   110.79167  -162.96245
   73    63 S   OH   _O34    81     1.42866   109.65254    60.89833
   74    73 S   HO   _H31    82     0.97250   108.42940  -178.24665
   75    67 S   CT   _C9_    64     1.52573   119.71447  -174.07480
   76    75 S   HC   _H13    65     1.09469   112.44727    74.19829
   77    75 S   HC   _H14    66     1.09570   111.48514   -46.92821
   78    75 S   CT   _C10    67     1.53720   103.65454  -165.96441
   79    78 S   HC   _H15    68     1.09471   109.84089   136.07215
   80    78 S   HC   _H16    69     1.09640   110.39016  -106.34484
   81    78 S   CT   _C11    70     1.55043   106.45241    12.50617
   82    81 S   HC   _H6_    71     1.09927   107.08870   -99.34886
   83    67 S   CT   _C12    72     1.53599   113.92752    63.18016
   84    81 S   CO4  _C25    87     1.52823   113.23907   143.59792
   85    84 S   O    _O35    88     1.23120   122.60361   -14.48539
   86    83 S   CT   _C13    73     1.53535   106.61580   -60.75553
   87    86 S   HC   _H17    74     1.09676   108.51662   177.32424
   88    86 S   HC   _H18    75     1.09880   109.36042   -66.88566
   89    83 S   CT   _C24    83     1.55009   114.12388    63.09324
   90    89 S   HC   _H32    84     1.09535   112.35362    70.27728
   91    89 S   HC   _H33    85     1.09122   113.38304   -49.76956
   92    89 S   HC   _H34    86     1.09592   110.69477  -170.43532
   93    84 S   CT   _C26    89     1.50709   117.22167   166.79084
   94    93 S   HC   _H35    90     1.09161   109.74670    85.59129
   95    93 S   HC   _H36    91     1.09281   110.23467   -35.96243
   96    93 S   HC   _H37    92     1.09376   109.33500  -154.56492
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  27   2   1   1  15   6   5  16   9   8   4   8   3   2   1   8
   5   4  11   4   3  14  24   9   5   2   1   1  17   8  14   6
   2   1  18   8   9   4   3   2   5   1  11   6   5  10   5   4
  15   6  10   7   4   6   2   1   3   2   1   1   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    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    54    55    64    40    41    44    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    48    51    52    53    54    55    56    61    64    65    66    40    41    44    45    46    47    63    57    58    59    60  
   35    36  
   36  
    0  
   38    39    42    43    48    49    50    51    54    55    64    40    41    44    57  
   39    42    43    48    54    40  
   42    43    48    54    40  
   41    44    45    46    47    67    57    42    51    54    55    61    62    64    65    66  
   44    45    46    47    54    61    64    65    66  
   43    48    49    50    51    52    53    54  
   48    49    50    51  
   45    46    47    54    61    64    65    66  
   46    47    64  
   47    64  
   64  
   49    50    51    52    53    54    55    57  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    61    63    57    58    59    60  
   53    54    55    57  
   54    55    57  
   55    56    61    62    64    67    86    63    69    73    57    58    59    60  
   56    61    62    64    65    66    67    68    75    83    86    87    88    63    69    70    71    72    73    74    57    58    59    60  
   61    62    64    67    86    63    69    73    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    64    65    66    67    68    75    76    77    78    81    83    86    63    69    73    89  
   64    65    66    67    68    75    83    63  
   69    70    71    72    73    74    89    64    67    81    83    86    87    88  
   65    66    67    68    75    83  
   66    67  
   67  
   68    75    76    77    78    79    80    81    82    83    86    87    88    89    90    91    92    84  
   75    76    77    78    81    83    86    89  
   70    71    72    73    74    83    86    87    88  
   71    72    73    86  
   72    73    86  
   73    86  
   74    83    86    87    88  
   86  
   76    77    78    79    80    81    82    83    86    89    84  
   77    78    79    80    81    83  
   78    79    80    81    83  
   79    80    81    82    83    86    89    84    85    93  
   80    81    82    83    84  
   81    82    83    84  
   82    83    86    87    88    89    90    91    92    84    85    93    94    95    96  
   83    86    89    84    85    93  
   86    87    88    89    90    91    92    84    85    93  
   85    93    94    95    96    86    89  
   93    94    95    96  
   87    88    89    90    91    92  
   88    89  
   89  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96  
   95    96  
   96  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.4200   0.0150   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    57   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   268.000  1.529
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   67    68   340.000  1.090
   67    75   268.000  1.529
   67    83   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   81    84   317.000  1.522
   83    86   268.000  1.529
   83    89   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    63   268.000  1.529
   63    69   268.000  1.529
   63    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   84    85   570.000  1.229
   84    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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  111.63000
   29    33    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    54    51    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    58.35000  112.70000
   33    40    64    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    48    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    63.00000  111.10000
   48    42    43    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    58.35000  112.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    33    37    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    61    58.35000  112.70000
   54    55    63    58.35000  112.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    64    58.35000  112.70000
   55    61    67    58.35000  112.70000
   55    63    86    58.35000  112.70000
   55    63    69    58.35000  112.70000
   55    63    73    50.00000  109.50000
   61    55    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    40    58.35000  112.70000
   61    67    68    37.50000  110.70000
   61    67    75    58.35000  112.70000
   61    67    83    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    40    41    37.50000  110.70000
   64    40    44    58.35000  112.70000
   66    64    65    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    64    65    37.50000  110.70000
   40    64    66    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    64    58.35000  112.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    78    58.35000  112.70000
   67    83    81    58.35000  112.70000
   67    83    86    58.35000  112.70000
   67    83    89    58.35000  112.70000
   75    67    68    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    58.35000  112.70000
   78    81    84    63.00000  111.10000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    83    86    58.35000  112.70000
   81    83    89    58.35000  112.70000
   81    84    85    80.00000  120.40000
   81    84    93    70.00000  116.00000
   83    67    68    37.50000  110.70000
   83    67    75    58.35000  112.70000
   83    81    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    63    58.35000  112.70000
   83    89    90    37.50000  110.70000
   83    89    91    37.50000  110.70000
   83    89    92    37.50000  110.70000
   86    63    69    58.35000  112.70000
   86    63    73    50.00000  109.50000
   88    86    87    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    61    58.35000  112.70000
   63    86    87    37.50000  110.70000
   63    86    88    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    37.50000  110.70000
   63    73    74    55.00000  108.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    63    69    50.00000  109.50000
   89    83    86    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    63.00000  111.10000
   84    93    94    35.00000  109.50000
   84    93    95    35.00000  109.50000
   84    93    96    35.00000  109.50000
   93    84    85    80.00000  120.40000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   57    54    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    54    51   0.44750  1.0 1.0
   29    33    54    51  -0.17800 -1.0 2.0
   29    33    54    51   0.20200  1.0 3.0
   29    33    54    55   0.44750  1.0 1.0
   29    33    54    55  -0.17800 -1.0 2.0
   29    33    54    55   0.20200  1.0 3.0
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   57    54    55    63   0.56750  1.0 1.0
   57    54    55    63  -0.07550 -1.0 2.0
   57    54    55    63   0.20000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    48    42    43  10.50000 -1.0 2.0
   81    93    84    85  10.50000 -1.0 2.0
END
