* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    148    215     426
    1     0 S   NP   _N1_     1    28.40563    97.26597   -24.33642
    2     1 S   H    _HN1     2     1.02776   111.29297  -104.76685
    3     1 S   H    _H1_     3     1.02953    71.97079    -1.59016
    4     1 S   H    _H2_     4     1.02833    36.23534   163.75390
    5     1 S   CT   _CA1     5     1.50137   132.57935    99.87220
    6     5 S   HC   _HA1     6     1.09578   105.20131    93.88194
    7     5 S   CO3  _C1_     7     1.53780   112.20878   -26.25225
    8     7 S   O2Z  _O11     8     1.26368   115.00089   -47.10826
    9     7 S   O2Z  _O12     9     1.26224   114.92180   131.76267
   10     5 S   CT   _CB1    10     1.53078   107.38392  -148.30529
   11    10 S   HC   HB11    11     1.09831   109.32108   -50.57235
   12    10 S   HC   HB12    12     1.09812   110.48045    65.98381
   13    10 S   CT   _CG1    13     1.52999   112.63766  -171.59847
   14    13 S   HC   HG11    14     1.09597   110.53788   -64.85839
   15    13 S   HC   HG12    15     1.09665   109.89999    54.32799
   16    13 S   C    _CD1    16     1.51849   112.21866   174.69607
   17    16 S   O    _OE1    17     1.22767   123.34992     2.80324
   18    16 S   N    _N2_    18     1.38459   111.74340  -177.18777
   19    18 S   H    _HN2    19     1.01776   119.02159     2.17277
   20    18 S   CT1  _CA2    20     1.45722   122.95263   178.29223
   21    20 S   HC   _HA2    21     1.09717   108.80964    29.06289
   22    20 S   C    _C2_    22     1.53036   107.38450   -88.30145
   23    22 S   O    _O2_    23     1.22958   123.08152   -23.34313
   24    20 S   CT   _CB2    32     1.53187   112.29223   152.30363
   25    24 S   HC   HB21    33     1.09539   109.96159    58.26027
   26    24 S   HC   HB22    34     1.09477   110.04434   176.76058
   27    22 S   N    _N3_    24     1.38660   112.38163   159.75864
   28    27 S   H    _HN3    25     1.01494   119.74685    -0.14537
   29    24 S   S    _SG2    35     1.82553   111.86184   -62.72847
   30    27 S   CT   _CA3    26     1.45420   122.59930   173.57728
   31    30 S   HC   HA31    27     1.09545   108.77533    34.73226
   32    30 S   HC   HA32    28     1.09470   107.27144   151.89606
   33    29 S   CT   _C27    36     1.83544    99.11635   170.98779
   34    33 S   HC   _H3_    37     1.09750   105.48050   -47.60440
   35    30 S   CO3  _C3_    29     1.53135   113.51185   -88.09601
   36    35 S   O2Z  _O31    30     1.26378   115.82694   -32.00535
   37    35 S   O2Z  _O32    31     1.26410   114.70022   148.77417
   38    33 S   CM   _C16    38     1.50963   109.14518  -163.23003
   39    38 S   HC   _H40    39     1.08961   117.49551   -54.31990
   40    33 S   CM   _C22    43     1.52925   111.24810    71.85284
   41    38 S   CMA  _C17    40     1.34852   124.15386   126.03790
   42    41 S   OM   _O25    41     1.25858   131.41444   179.66957
   43    41 S   HC   _H41    42     1.09161   113.08958    -0.08623
   44    40 S   CM   _C15    44     1.35042   118.20511  -113.51758
   45    44 S   HC   _H39    45     1.08870   117.08256     2.01101
   46    40 S   CT   _C26    86     1.51055   117.33814    68.54426
   47    46 S   HC   _H52    87     1.09425   110.90323   -55.26844
   48    46 S   HC   _H53    88     1.09187   113.57390  -174.93914
   49    46 S   HC   _H54    89     1.09458   110.52143    64.98357
   50    44 S   CM   _C7_    46     1.44938   128.16717  -177.49462
   51    50 S   HC   _H31    47     1.08560   117.49913   -10.73409
   52    50 S   CM   _C10    48     1.34519   126.03259   170.09134
   53    52 S   HC   _H34    49     1.08901   117.73610   177.08872
   54    52 S   CM   _C20    50     1.45719   127.73429    -0.91557
   55    54 S   CM   _C13    51     1.34901   125.36390   -60.36341
   56    55 S   HC   _H37    52     1.08728   117.78560   177.71621
   57    54 S   CT   _C24    82     1.50573   113.68534   119.48093
   58    57 S   HC   _H46    83     1.09555   110.63904    60.60831
   59    57 S   HC   _H47    84     1.09546   112.15127  -179.46150
   60    57 S   HC   _H48    85     1.09557   110.55521   -59.62610
   61    55 S   CM   _C5_    53     1.45096   126.22856    -2.97348
   62    61 S   HC   _H29    54     1.08873   116.06583   -21.70808
   63    61 S   CM   _C4_    55     1.34345   127.34215   156.41717
   64    63 S   HC   _H28    56     1.08688   116.13111  -178.48793
   65    63 S   CM   _C12    57     1.44835   126.88536    -0.54500
   66    65 S   HC   _H36    58     1.08787   115.45968    13.47104
   67    65 S   CM   _C19    59     1.34859   126.84713  -166.36809
   68    67 S   CM   _C9_    60     1.45964   120.84848  -179.20525
   69    68 S   HC   _H33    61     1.08977   114.12563   125.11242
   70    67 S   CT   _C23    78     1.50573   126.09898    -0.65819
   71    70 S   HC   _H43    79     1.09562   110.39148  -113.12340
   72    70 S   HC   _H44    80     1.09213   113.59891     7.72194
   73    70 S   HC   _H45    81     1.09626   110.31376   127.29205
   74    68 S   CM   _C6_    62     1.34449   128.52319   -56.20877
   75    74 S   HC   _H30    63     1.08655   116.06737   179.97202
   76    74 S   CM   _C14    64     1.45002   126.93417    -1.77399
   77    76 S   HC   _H38    65     1.08907   115.38806    -7.36199
   78    76 S   CM   _C21    66     1.34844   126.86328   173.04794
   79    78 S   CM   _C11    67     1.45760   120.58207  -179.17386
   80    79 S   HC   _H35    68     1.08970   114.31807   118.59073
   81    78 S   CT   _C25    74     1.50539   126.25953    -2.79890
   82    81 S   HC   _H49    75     1.09614   110.57999  -123.07726
   83    81 S   HC   _H50    76     1.09577   110.16120   117.35264
   84    81 S   HC   _H51    77     1.09211   113.65221    -3.18038
   85    79 S   CM   _C8_    69     1.33993   128.40317   -63.12486
   86    85 S   HC   _H32    70     1.08577   119.48129  -179.68847
   87    85 S   CO4  _C18    71     1.47748   124.78337    -1.53097
   88    87 S   O    _O26    72     1.22582   121.40081   179.54115
   89    87 S   HC   _H42    73     1.10040   116.99530    -1.16550
  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   8   5   4   3
  14   6   2   1   1   7   4  10   2   1   1  10   4   4   2   1
   1   6   3   9   3   9  10   4   4   2   1   1   6   3   6   3
   9   3   9  10   4   4   2   1   1   6   3   9   3   9  10   4
   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    40    44    45    50    46    47    48    49  
   38    39    41    40    44    46  
   36    37  
   37  
    0  
   39    41    42    43    40    44    46  
   41    42    43    40  
   44    45    50    51    52    46    47    48    49    41  
   42    43  
   43  
    0  
   45    50    51    52    53    54    46    47    48    49  
   50    51    52    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    57  
   52    53    54  
   53    54    55    56    61    57    58    59    60  
   54    55    57  
   55    56    61    62    63    57    58    59    60  
   56    61    62    63    64    65    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67    68    70  
   65    66    67  
   66    67    68    69    74    70    71    72    73  
   67    68    70  
   68    69    74    75    76    70    71    72    73  
   69    74    75    76    77    78    70    71    72    73  
   74    75    76    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77    78    79    81  
   76    77    78  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    87    81    82    83    84  
   80    85    86    87    88    89    81    82    83    84  
   85    86    87    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   89   2.4200   0.0150   0.000000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    43   335.000  1.111
   40    44   549.000  1.340
   40    46   317.000  1.510
   44    45   340.000  1.080
   44    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   340.000  1.080
   52    54   380.000  1.444
   54    55   549.000  1.340
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   380.000  1.444
   67    70   317.000  1.510
   68    69   340.000  1.080
   68    74   549.000  1.340
   74    75   340.000  1.080
   74    76   380.000  1.444
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   380.000  1.444
   78    81   317.000  1.510
   79    80   340.000  1.080
   79    85   549.000  1.340
   85    86   340.000  1.080
   85    87   320.000  1.462
   87    88   570.000  1.229
   87    89   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    44    70.00000  124.00000
   33    40    46    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    43    45.00000  105.30000
   41    38    39    40.00000  120.50800
   43    41    42    50.00000  124.16400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    35.00000  120.00000
   40    44    50    70.00000  123.01800
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   44    50    51    35.00000  120.00000
   44    50    52    70.00000  123.01800
   50    44    45    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    70.00000  123.01800
   52    50    51    35.00000  120.00000
   52    54    55    70.00000  123.01800
   52    54    57    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    61    70.00000  123.01800
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    63    70.00000  123.01800
   61    55    56    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  123.01800
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  123.01800
   65    63    64    35.00000  120.00000
   65    67    68    70.00000  123.01800
   65    67    70    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    74    70.00000  123.01800
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   68    74    75    35.00000  120.00000
   68    74    76    70.00000  123.01800
   74    68    69    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    70.00000  123.01800
   76    74    75    35.00000  120.00000
   76    78    79    70.00000  123.01800
   76    78    81    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  120.00000
   78    79    85    70.00000  123.01800
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    35.00000  120.00000
   79    85    87    65.00000  118.96000
   85    79    80    35.00000  120.00000
   85    87    88    80.00000  123.72100
   85    87    89    40.00000  115.75000
   87    85    86    40.00000  117.72500
   89    87    88    35.00000  123.00000
   81    78    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    67    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   46    40    44    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   29    33    40    46   0.30250  1.0 1.0
   29    33    40    46  -0.14950 -1.0 2.0
   29    33    40    46   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    50   7.00000 -1.0 2.0
   33    40    46    47   0.34800  1.0 3.0
   33    40    46    48   0.34800  1.0 3.0
   33    40    46    49   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    46   0.34800  1.0 3.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    33    40    46   0.09700  1.0 1.0
   38    33    40    46   0.15600 -1.0 2.0
   38    33    40    46  -0.50800  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    44    50    51  -0.18600  1.0 3.0
   40    44    50    52   0.28850  1.0 1.0
   40    44    50    52   2.61350 -1.0 2.0
   40    44    50    52   0.78400  1.0 3.0
   44    40    46    47   0.00000  1.0 1.0
   44    40    46    48   0.00000  1.0 1.0
   44    40    46    49   0.00000  1.0 1.0
   44    50    52    53   7.00000 -1.0 2.0
   44    50    52    54   7.00000 -1.0 2.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52  -0.18600  1.0 3.0
   50    52    54    55   0.28850  1.0 1.0
   50    52    54    55   2.61350 -1.0 2.0
   50    52    54    55   0.78400  1.0 3.0
   50    52    54    57  -0.18600  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   52    54    55    56   7.00000 -1.0 2.0
   52    54    55    61   7.00000 -1.0 2.0
   52    54    57    58   0.00000  1.0 1.0
   52    54    57    59   0.00000  1.0 1.0
   52    54    57    60   0.00000  1.0 1.0
   53    52    54    55  -0.18600  1.0 3.0
   53    52    54    57   0.00000  1.0 1.0
   54    55    61    62  -0.18600  1.0 3.0
   54    55    61    63   0.28850  1.0 1.0
   54    55    61    63   2.61350 -1.0 2.0
   54    55    61    63   0.78400  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    60   0.00000  1.0 1.0
   55    61    63    64   7.00000 -1.0 2.0
   55    61    63    65   7.00000 -1.0 2.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63  -0.18600  1.0 3.0
   61    63    65    66  -0.18600  1.0 3.0
   61    63    65    67   0.28850  1.0 1.0
   61    63    65    67   2.61350 -1.0 2.0
   61    63    65    67   0.78400  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    67    68   7.00000 -1.0 2.0
   63    65    67    70   7.00000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67  -0.18600  1.0 3.0
   65    67    68    69  -0.18600  1.0 3.0
   65    67    68    74   0.28850  1.0 1.0
   65    67    68    74   2.61350 -1.0 2.0
   65    67    68    74   0.78400  1.0 3.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    72   0.00000  1.0 1.0
   65    67    70    73   0.00000  1.0 1.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    70   7.00000 -1.0 2.0
   67    68    74    75   7.00000 -1.0 2.0
   67    68    74    76   7.00000 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
   68    74    76    77  -0.18600  1.0 3.0
   68    74    76    78   0.28850  1.0 1.0
   68    74    76    78   2.61350 -1.0 2.0
   68    74    76    78   0.78400  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    76   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   74    76    78    81   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78  -0.18600  1.0 3.0
   76    78    79    80  -0.18600  1.0 3.0
   76    78    79    85   0.28850  1.0 1.0
   76    78    79    85   2.61350 -1.0 2.0
   76    78    79    85   0.78400  1.0 3.0
   76    78    81    82   0.00000  1.0 1.0
   76    78    81    83   0.00000  1.0 1.0
   76    78    81    84   0.00000  1.0 1.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    81   7.00000 -1.0 2.0
   78    79    85    86   7.00000 -1.0 2.0
   78    79    85    87   7.00000 -1.0 2.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   79    85    87    88   1.00000 -1.0 2.0
   79    85    87    89  -0.79650  1.0 1.0
   79    85    87    89   1.60950 -1.0 2.0
   79    85    87    89  -0.26250  1.0 3.0
   80    79    85    86   7.00000 -1.0 2.0
   80    79    85    87   7.00000 -1.0 2.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.93100 -1.0 2.0
   81    78    79    80   0.00000  1.0 1.0
   81    78    79    85  -0.18600  1.0 3.0
   70    67    68    69   0.00000  1.0 1.0
   70    67    68    74  -0.18600  1.0 3.0
   57    54    55    56   7.00000 -1.0 2.0
   57    54    55    61   7.00000 -1.0 2.0
   46    40    44    45   7.00000 -1.0 2.0
   46    40    44    50   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    43    41    38  15.00000 -1.0 2.0
   33    46    40    44  15.00000 -1.0 2.0
   50    45    44    40  15.00000 -1.0 2.0
   44    51    50    52  15.00000 -1.0 2.0
   54    53    52    50  15.00000 -1.0 2.0
   52    57    54    55  15.00000 -1.0 2.0
   61    56    55    54  15.00000 -1.0 2.0
   55    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
   63    66    65    67  15.00000 -1.0 2.0
   68    70    67    65  15.00000 -1.0 2.0
   67    69    68    74  15.00000 -1.0 2.0
   76    75    74    68  15.00000 -1.0 2.0
   74    77    76    78  15.00000 -1.0 2.0
   79    81    78    76  15.00000 -1.0 2.0
   78    80    79    85  15.00000 -1.0 2.0
   87    86    85    79  15.00000 -1.0 2.0
   85    89    87    88  10.50000 -1.0 2.0
END
