* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    194    321     589
    1     0 S   NP   _N1_     1    28.74347    96.34625   -24.23345
    2     1 S   H    _HN1     2     1.02949    71.92253     8.77147
    3     1 S   H    _H1_     3     1.02827    36.40199   173.24849
    4     1 S   H    _H2_     4     1.02788   110.81614   -94.55880
    5     1 S   CT   _CA1     5     1.50127   133.09247   110.10598
    6     5 S   HC   _HA1     6     1.09573   105.17629    93.75542
    7     5 S   CO3  _C1_     7     1.53779   112.45585   -26.45748
    8     7 S   O2Z  _O11     8     1.26376   115.00056   -42.36395
    9     7 S   O2Z  _O12     9     1.26237   114.94755   136.68144
   10     5 S   CT   _CB1    10     1.53068   107.40526  -148.26795
   11    10 S   HC   HB11    11     1.09838   109.34806   -49.47567
   12    10 S   HC   HB12    12     1.09812   110.45988    67.12342
   13    10 S   CT   _CG1    13     1.53006   112.63395  -170.43170
   14    13 S   HC   HG11    14     1.09576   110.68189   -66.55262
   15    13 S   HC   HG12    15     1.09671   109.74555    52.69299
   16    13 S   C    _CD1    16     1.51808   112.10408   173.15312
   17    16 S   O    _OE1    17     1.22748   123.23613     9.67443
   18    16 S   N    _N2_    18     1.38645   111.76087  -170.42673
   19    18 S   H    _HN2    19     1.01586   118.99440     1.20788
   20    18 S   CT1  _CA2    20     1.46197   123.36752   177.02494
   21    20 S   HC   _HA2    21     1.09740   109.32423     5.04943
   22    20 S   C    _C2_    22     1.53598   108.74747  -110.45653
   23    22 S   O    _O2_    23     1.23070   122.25986  -148.25807
   24    20 S   CT   _CB2    32     1.53299   111.60752   127.01242
   25    24 S   HC   HB21    33     1.09496   110.06184    57.27176
   26    24 S   HC   HB22    34     1.09481   110.01376   176.02241
   27    22 S   N    _N3_    24     1.38325   113.78253    39.22091
   28    27 S   H    _HN3    25     1.01564   119.60211    -3.30506
   29    24 S   S    _SG2    35     1.82882   111.42683   -64.26432
   30    27 S   CT   _CA3    26     1.45278   123.23172   177.15064
   31    30 S   HC   HA31    27     1.09549   107.51274   -64.62512
   32    30 S   HC   HA32    28     1.09556   107.98661    51.81728
   33    29 S   CT   _C19    36     1.85270    99.67591   179.33736
   34    33 S   HC   _H5_    37     1.09250   106.74251    29.60667
   35    30 S   CO3  _C3_    29     1.52964   114.07514   173.81816
   36    35 S   O2Z  _O31    30     1.26379   116.08781    -0.47724
   37    35 S   O2Z  _O32    31     1.26432   114.40656   179.58082
   38    33 S   CO4  _C20    38     1.53285   107.93195   -82.24722
   39    38 S   O    _O36    39     1.22786   124.44962    17.70586
   40    38 S   OS   _O37    40     1.35598   115.21644  -170.71270
   41    40 S   CT   _C21    41     1.44579   121.27967    41.82855
   42    41 S   HC   _H6_    42     1.09909   105.07812    70.82638
   43    41 S   C5BC _C22    43     1.50829   109.02506  -176.37636
   44    41 S   CT   _C5_    51     1.56975   112.00903   -48.01845
   45    43 S   C5BC _C23    44     1.42607   127.94445    37.63269
   46    45 S   HA   _H18    45     1.08092   127.39859     0.86818
   47    44 S   CT   _C6_    52     1.56310   108.30658   173.39194
   48    47 S   HC   _H10    53     1.09784   109.40124    87.92626
   49    47 S   HC   _H11    54     1.09773   110.45129   -27.41714
   50    33 S   CT   _C18    77     1.56499   114.10629   151.38986
   51    44 S   CT   _C4_    96     1.55738   107.94796   -66.64233
   52    51 S   HC   _H7_    97     1.09553   111.86406    41.02608
   53    51 S   HC   _H8_    98     1.09554   111.41714   -78.37194
   54    51 S   HC   _H9_    99     1.08923   113.92156   160.65596
   55    45 S   C5A  _C24    46     1.37436   106.69998  -179.19643
   56    55 S   HA   _H19    47     1.08026   133.82706  -179.77706
   57    47 S   CT   _C7_    55     1.53314   116.57130  -148.80756
   58    57 S   HC   _H12    56     1.09490   109.57039    94.41631
   59    57 S   HC   _H13    57     1.09246   107.35204  -152.99683
   60    50 S   OH   _O39    78     1.45690   103.08690    64.44429
   61    60 S   HO   _H21    79     0.97005   109.50557   172.40051
   62    55 S   OA   _O38    48     1.35633   110.46239     0.57061
   63    57 S   CT   _C8_    58     1.53388   111.57241   -28.18481
   64    63 S   HC   _H3_    59     1.09614   104.86087   -46.62661
   65    43 S   C5A  _C25    49     1.38222   127.12533  -140.29421
   66    65 S   HA   _H20    50     1.08069   133.44852    -0.84326
   67    63 S   CT   _C9_    60     1.60564   116.55961  -157.12623
   68    67 S   CM   _C10    61     1.54852   106.99650    61.39037
   69    68 S   HC   _H14    62     1.08713   116.24907   -31.36100
   70    67 S   CT   _C14    69     1.59359   108.77593   178.47325
   71    70 S   HC   _H4_    70     1.10383   103.19028   -70.52062
   72    67 S   CT   _C29    92     1.53792   112.07560   -53.34267
   73    72 S   HC   _H31    93     1.08810   113.17787   -75.26675
   74    72 S   HC   _H32    94     1.09608   111.99856   164.62797
   75    72 S   HC   _H33    95     1.09546   111.76572    46.11387
   76    68 S   CM   _C11    63     1.34041   130.77967   146.80460
   77    76 S   HC   _H15    64     1.08711   118.81784  -175.85036
   78    70 S   CT   _C15    71     1.53869   114.96728    41.18554
   79    78 S   HC   _H16    72     1.09679   109.87963  -165.03125
   80    78 S   HC   _H17    73     1.08969   113.42145    77.38153
   81    76 S   CO4  _C12    65     1.46815   126.67319     4.91622
   82    81 S   O    _O33    66     1.22276   122.50194  -162.34268
   83    78 S   CO4  _C16    74     1.51369   111.21548   -46.98633
   84    83 S   O    _O35    75     1.22880   119.07453  -113.53310
   85    81 S   OS   _O34    67     1.34951   112.34392    26.97386
   86    63 S   CT   _C17    76     1.58849   108.56025    67.11192
   87    85 S   CT   _C13    68     1.44666   117.69841   -88.60928
   88    86 S   CT   _C26    80     1.55849   111.64430    77.62289
   89    88 S   HC   _H22    81     1.09412   112.08824   -50.40096
   90    88 S   HC   _H23    82     1.09205   112.06366  -170.72153
   91    88 S   HC   _H24    83     1.08686   114.79904    71.16774
   92    87 S   CT   _C27    84     1.53935   104.67486  -175.78695
   93    92 S   HC   _H25    85     1.09742   110.26154    52.77637
   94    92 S   HC   _H26    86     1.09140   112.32255   -64.56319
   95    92 S   HC   _H27    87     1.09405   112.55808   172.58884
   96    87 S   CT   _C28    88     1.54602   108.45415   -62.24555
   97    96 S   HC   _H28    89     1.09649   110.69993   -48.51850
   98    96 S   HC   _H29    90     1.09424   112.14114  -169.30454
   99    96 S   HC   _H30    91     1.09559   111.43547    69.66773
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1   9   3   9  20   7  11  19   6   4  15   7
   6  18   6   2   1   1   4   2  11   5   4   5   1   2  20   7
   1   1  21  15   5  23   9   7   2   1   1   5   3  10   5   4
   5   2   7   2   9   4   8   3   2   1   1   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    86    50    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    63    83    86    50    60    61    88    51  
   38    39    40    44    86    50    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    86    50    60  
   40    41    50  
   41    42    43    45    65    44    47    50    51  
   42    43    45    46    55    62    65    66    44    47    48    49    57    86    50    60    51    52    53    54  
   43    45    65    44    47    50    51  
   45    46    55    56    62    65    66    44    47    50    51  
   47    48    49    57    58    59    63    83    86    50    60    61    88    51    52    53    54    45    65  
   46    55    56    62    65    66  
   55    56    62    65  
   48    49    57    58    59    63    64    67    86    50    60    51    52    53    54  
   49    57    58    59    63    50    51  
   57    58    59    63    50    51  
   60    61    88    89    90    91    51    52    53    54    57    63    64    67    78    83    84    86  
   52    53    54    57    60    86  
   53    54  
   54  
    0  
   56    62    65    66  
   62    65  
   58    59    63    64    67    68    70    83    86    88    72  
   59    63    64    67    86  
   63    64    67    86  
   61    88    63    83    86  
   86  
   65    66  
   64    67    68    69    76    87    70    71    78    83    84    86    88    89    90    91    72    73    74    75  
   67    68    70    83    86    88    72  
   66  
    0  
   68    69    76    77    81    85    87    70    71    78    79    80    83    86    88    92    96    72    73    74    75  
   69    76    77    81    82    85    87    70    71    78    86    72    73    74    75  
   76    77    81    70    72  
   71    78    79    80    83    84    86    92    93    94    95    96    97    98    99    72    73    74    75    76    81    85    87  
   78    79    80    83    92    96    72    85    87  
   73    74    75    76    78    86    87  
   74    75  
   75  
    0  
   77    81    82    85    87  
   81    82    85  
   79    80    83    84    86    88    92    96    85    87  
   80    83    84    86    87  
   83    84    86    87  
   82    85    87    92    96  
   85    87  
   84    86    88    89    90    91    87  
   86    88  
   87    92    93    94    95    96    97    98    99  
   88    89    90    91  
   92    93    94    95    96    97    98    99  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97    98    99  
   94    95    96  
   95    96  
   96  
   97    98    99  
   98    99  
   99  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   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   3.5500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    65   546.000  1.367
   45    46   367.000  1.080
   45    55   546.000  1.367
   55    56   367.000  1.080
   55    62   340.000  1.360
   62    65   340.000  1.360
   65    66   367.000  1.080
   44    47   268.000  1.529
   44    50   268.000  1.529
   44    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    86   268.000  1.529
   67    68   317.000  1.510
   67    70   268.000  1.529
   67    72   268.000  1.529
   68    69   340.000  1.080
   68    76   549.000  1.340
   76    77   340.000  1.080
   76    81   320.000  1.462
   81    82   570.000  1.229
   81    85   214.000  1.327
   85    87   320.000  1.410
   87    70   268.000  1.529
   87    92   268.000  1.529
   87    96   268.000  1.529
   70    71   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   317.000  1.522
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    50   268.000  1.529
   86    88   268.000  1.529
   50    60   320.000  1.410
   60    61   553.000  0.945
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   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    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  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    50    44    58.35000  112.70000
   33    50    86    58.35000  112.70000
   33    50    60    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    65    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    44    51    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    55    70.00000  107.30000
   43    65    62    70.00000  110.60000
   43    65    66    35.00000  132.10000
   45    55    56    35.00000  132.10000
   45    55    62    70.00000  110.60000
   55    45    46    35.00000  125.70000
   55    62    65    70.00000  106.50000
   62    55    56    35.00000  113.40000
   62    65    66    35.00000  113.40000
   65    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    57    58.35000  112.70000
   44    50    86    58.35000  112.70000
   44    50    60    50.00000  109.50000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    57    63    58.35000  112.70000
   49    47    48    33.00000  107.80000
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    67    58.35000  112.70000
   57    63    86    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    67    68    70.00000  112.02700
   63    67    70    58.35000  112.70000
   63    67    72    58.35000  112.70000
   63    86    83    63.00000  111.10000
   63    86    50    58.35000  112.70000
   63    86    88    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    68    69    35.00000  117.00000
   67    68    76    70.00000  124.00000
   67    70    87    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    78    58.35000  112.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   68    76    77    35.00000  120.00000
   68    76    81    65.00000  118.96000
   76    68    69    35.00000  120.00000
   76    81    82    80.00000  123.72100
   76    81    85    90.00000  111.29400
   81    76    77    40.00000  117.72500
   81    85    87    83.00000  116.90000
   85    81    82    83.00000  123.40000
   85    87    70    50.00000  109.50000
   85    87    92    50.00000  109.50000
   85    87    96    50.00000  109.50000
   87    70    71    37.50000  110.70000
   87    70    78    58.35000  112.70000
   87    92    93    37.50000  110.70000
   87    92    94    37.50000  110.70000
   87    92    95    37.50000  110.70000
   87    96    97    37.50000  110.70000
   87    96    98    37.50000  110.70000
   87    96    99    37.50000  110.70000
   70    67    68    70.00000  112.02700
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    83    63.00000  111.10000
   78    70    71    37.50000  110.70000
   78    83    84    80.00000  120.40000
   78    83    86    70.00000  116.00000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    86    50    63.00000  111.10000
   83    86    88    63.00000  111.10000
   86    63    64    37.50000  110.70000
   86    63    67    58.35000  112.70000
   86    83    84    80.00000  120.40000
   86    50    60    50.00000  109.50000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    47    58.35000  112.70000
   50    60    61    55.00000  108.50000
   88    86    50    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    87    70    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    87    70    58.35000  112.70000
   96    87    92    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   72    67    68    70.00000  112.02700
   72    67    70    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    44    47    58.35000  112.70000
   51    44    50    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    38    39   0.30150 -1.0 2.0
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   72    67    70    78   0.20000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    57   0.56750  1.0 1.0
   51    44    47    57  -0.07550 -1.0 2.0
   51    44    47    57   0.20000  1.0 3.0
   51    44    50    33   0.56750  1.0 1.0
   51    44    50    33  -0.07550 -1.0 2.0
   51    44    50    33   0.20000  1.0 3.0
   51    44    50    86   0.56750  1.0 1.0
   51    44    50    86  -0.07550 -1.0 2.0
   51    44    50    86   0.20000  1.0 3.0
   51    44    50    60   0.86500  1.0 1.0
   51    44    50    60  -0.17500 -1.0 2.0
   51    44    50    60   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    65    43    41   4.00000 -1.0 2.0
   55    46    45    43   1.10000 -1.0 2.0
   62    56    55    45   1.10000 -1.0 2.0
   62    66    65    43   1.10000 -1.0 2.0
   67    69    68    76   1.10000 -1.0 2.0
   81    77    76    68   1.10000 -1.0 2.0
   76    85    81    82  10.50000 -1.0 2.0
   78    86    83    84  10.50000 -1.0 2.0
END
