* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    169    261     501
    1     0 S   NP   _N1_     1    28.89575    94.09465   -20.79959
    2     1 S   H    _HN1     2     1.02959    97.52238    51.64938
    3     1 S   H    _H1_     3     1.02839    29.01803   163.52006
    4     1 S   H    _H2_     4     1.02781    85.74239   -56.27351
    5     1 S   CT   _CA1     5     1.50103   138.46949  -175.45942
    6     5 S   HC   _HA1     6     1.09575   105.27202    48.52125
    7     5 S   CO3  _C1_     7     1.53851   112.24232   -71.71183
    8     7 S   O2Z  _O11     8     1.26350   115.01549   -47.18491
    9     7 S   O2Z  _O12     9     1.26232   114.91522   131.98700
   10     5 S   CT   _CB1    10     1.53114   107.41997   166.38343
   11    10 S   HC   HB11    11     1.09811   109.45415   -50.70447
   12    10 S   HC   HB12    12     1.09828   110.41457    65.89627
   13    10 S   CT   _CG1    13     1.52968   112.54841  -171.87945
   14    13 S   HC   HG11    14     1.09449   110.19061   -58.98305
   15    13 S   HC   HG12    15     1.09618   110.25994    59.95852
   16    13 S   C    _CD1    16     1.51789   112.07335   179.98022
   17    16 S   O    _OE1    17     1.22741   123.01219   -20.22955
   18    16 S   N    _N2_    18     1.38540   111.83595   161.00837
   19    18 S   H    _HN2    19     1.01595   119.01451     0.27766
   20    18 S   CT1  _CA2    20     1.46269   123.58604  -178.86392
   21    20 S   HC   _HA2    21     1.09735   109.35510   -17.79723
   22    20 S   C    _C2_    22     1.53442   108.12732  -133.41372
   23    22 S   O    _O2_    23     1.23002   122.34313  -145.71273
   24    20 S   CT   _CB2    32     1.53547   111.18741   104.56343
   25    24 S   HC   HB21    33     1.09329   109.20833    51.99747
   26    24 S   HC   HB22    34     1.09489   110.44318   170.49854
   27    22 S   N    _N3_    24     1.38541   113.28860    41.72228
   28    27 S   H    _HN3    25     1.01533   118.91196    -0.53155
   29    24 S   S    _SG2    35     1.83142   111.39757   -70.67742
   30    27 S   CT   _CA3    26     1.45448   123.41137   175.08917
   31    30 S   HC   HA31    27     1.09526   109.18405    25.24430
   32    30 S   HC   HA32    28     1.09494   107.12692   142.24660
   33    29 S   CT   _C13    36     1.87323   102.29025   155.80846
   34    30 S   CO3  _C3_    29     1.52934   113.18448   -98.19487
   35    34 S   O2Z  _O31    30     1.26399   115.44462   -43.27554
   36    34 S   O2Z  _O32    31     1.26361   114.95689   137.67827
   37    33 S   CO4  _C11    37     1.53438   107.45223    48.08398
   38    37 S   O    _O24    38     1.22874   122.78642  -103.00611
   39    33 S   CT   _C12    51     1.55253   107.87569   165.69087
   40    39 S   HC   _H30    52     1.09887   108.98327    51.84366
   41    33 S   CT   _C16    57     1.55777   109.53295   -71.41983
   42    41 S   HC   _H37    58     1.09820   108.95808   175.51297
   43    41 S   HC   _H38    59     1.09566   109.68098    62.00606
   44    37 S   CA   _C9_    39     1.48289   118.14185    75.10882
   45    39 S   CT   _C14    53     1.53482   114.36783   172.04485
   46    45 S   HC   _H31    54     1.09510   111.80971    54.31750
   47    45 S   HC   _H32    55     1.09377   111.57046   -66.99482
   48    45 S   HC   _H33    56     1.09618   110.81484   173.80286
   49    41 S   CT   _C18    60     1.53748   116.05421   -61.50208
   50    49 S   HC   _H41    61     1.09488   109.95220   -54.20179
   51    49 S   HC   _H42    62     1.09550   110.58148    63.51113
   52    44 S   CA   _C7_    40     1.40042   119.20967  -163.82009
   53    52 S   HA   _H29    41     1.08715   121.14376    -0.87581
   54    49 S   CT   _C20    63     1.53342   113.17426  -174.28313
   55    54 S   HC   _H45    64     1.09673   109.72650    57.38920
   56    54 S   HC   _H46    65     1.09702   107.93229   173.24701
   57    52 S   CA   _C5_    42     1.39507   120.05173   178.41156
   58    57 S   HA   _H27    43     1.08647   119.95473  -179.74666
   59    54 S   CT   _C22    66     1.52967   113.39464   -65.74391
   60    59 S   HC   _H49    67     1.09532   109.62094   -51.01357
   61    59 S   HC   _H50    68     1.09569   110.06272    66.69605
   62    57 S   CA   _C4_    44     1.39330   120.06922     0.00000
   63    62 S   HA   _H26    45     1.08647   119.97420  -179.91607
   64    59 S   CT   _C24    69     1.52978   111.31229  -172.21313
   65    64 S   HC   _H53    70     1.09674   109.60532   -59.46689
   66    64 S   HC   _H54    71     1.09669   109.60220    57.85841
   67    62 S   CA   _C6_    46     1.39507   120.07077     0.28804
   68    67 S   HA   _H28    47     1.08710   118.82809   179.45356
   69    64 S   CT   _C25    72     1.52948   111.22617   179.10060
   70    69 S   HC   _H55    73     1.09679   109.55724    59.86051
   71    69 S   HC   _H56    74     1.09678   109.60448   -57.39641
   72    44 S   CA   _C8_    48     1.39581   120.92728    15.10326
   73    69 S   CT   _C23    75     1.52929   111.31708  -178.72129
   74    73 S   HC   _H51    76     1.09686   109.55413    58.48457
   75    73 S   HC   _H52    77     1.09678   109.57626   -58.81480
   76    72 S   CO4  _C10    49     1.47942   120.75299     3.02873
   77    76 S   O    _O23    50     1.22814   120.29702  -174.61777
   78    73 S   CT   _C21    78     1.52951   111.31012   179.79347
   79    78 S   HC   _H47    79     1.09681   109.56894    58.70196
   80    78 S   HC   _H48    80     1.09684   109.56093   -58.58340
   81    78 S   CT   _C19    81     1.52952   111.33101  -179.93147
   82    81 S   HC   _H43    82     1.09685   109.57648   -58.65511
   83    81 S   HC   _H44    83     1.09685   109.57551    58.61569
   84    81 S   CT   _C17    84     1.52846   111.32658   180.00000
   85    84 S   HC   _H39    85     1.09623   109.86636    58.86850
   86    84 S   HC   _H40    86     1.09623   109.86595   -58.86019
   87    84 S   CT   _C15    87     1.52036   111.49367  -180.00000
   88    87 S   HC   _H34    88     1.09469   111.00111    60.25954
   89    87 S   HC   _H35    89     1.09449   110.26153  -180.00000
   90    87 S   HC   _H36    90     1.09469   111.00096   -60.25993
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  20   2   1   1  15   5  14   8  12   5   4  10   6   3   2   1
   9   5   4   8   4   9   5   4   6   3   9   5   4   5   3   9
   5   4   4   2   9   5   4   2   9   5   4   1   1   9   5   4
   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    76    39    40    45    41    42    43    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    52    72    76    77    39    40    45    46    47    48    41    42    43    49    50    51    54  
   35    36  
   36  
    0  
   38    44    52    53    57    67    72    76    39    40    45    41    42    43    49  
   44    52    72    39    41  
   40    45    46    47    48    41    42    43    49    44    67    72    76    77  
   45    46    47    48    41    72    76    77  
   42    43    49    50    51    54    55    56    59    44    45    76  
   43    49    50    51    54  
   49    50    51    54  
   52    53    57    58    62    67    68    72    76    77  
   46    47    48    72    76    77  
   47    48    76  
   48    76  
   76  
   50    51    54    55    56    59    60    61    64  
   51    54    55    56    59  
   54    55    56    59  
   53    57    58    62    63    67    72    76  
   57    58    62    72  
   55    56    59    60    61    64    65    66    69  
   56    59    60    61    64  
   59    60    61    64  
   58    62    63    67    68    72  
   62    63    67  
   60    61    64    65    66    69    70    71    73  
   61    64    65    66    69  
   64    65    66    69  
   63    67    68    72    76  
   67    68    72  
   65    66    69    70    71    73    74    75    78  
   66    69    70    71    73  
   69    70    71    73  
   68    72    76    77  
   72    76  
   70    71    73    74    75    78    79    80    81  
   71    73    74    75    78  
   73    74    75    78  
   76    77  
   74    75    78    79    80    81    82    83    84  
   75    78    79    80    81  
   78    79    80    81  
   77  
    0  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    52   469.000  1.400
   44    72   469.000  1.400
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    76   310.000  1.470
   76    77   570.000  1.229
   76    39   317.000  1.522
   39    40   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    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   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    76    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    45    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    49    58.35000  112.70000
   37    44    52    60.00000  119.52600
   37    44    72    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    52    53    35.00000  120.00000
   44    52    57    63.00000  120.00000
   44    72    67    63.00000  120.00000
   44    72    76    60.00000  119.52600
   52    57    58    35.00000  120.00000
   52    57    62    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    67    63.00000  120.00000
   62    57    58    35.00000  120.00000
   62    67    68    35.00000  120.00000
   62    67    72    63.00000  120.00000
   67    62    63    35.00000  120.00000
   67    72    76    60.00000  119.52600
   72    44    52    63.00000  120.00000
   72    67    68    35.00000  120.00000
   72    76    77    75.00000  123.78400
   72    76    39    65.00000  115.47100
   76    39    40    35.00000  109.50000
   76    39    45    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    76    77    80.00000  120.40000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    48    37.50000  110.70000
   45    39    40    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    54    58.35000  112.70000
   43    41    42    33.00000  107.80000
   49    41    42    37.50000  110.70000
   49    41    43    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    73    58.35000  112.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    76   0.56750  1.0 1.0
   29    33    39    76  -0.07550 -1.0 2.0
   29    33    39    76   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   33    37    44    52   2.26350  1.0 1.0
   33    37    44    52   0.76750 -1.0 2.0
   33    37    44    52   0.22500  1.0 3.0
   33    37    44    72   2.26350  1.0 1.0
   33    37    44    72   0.76750 -1.0 2.0
   33    37    44    72   0.22500  1.0 3.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    47   0.15000  1.0 3.0
   33    39    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    54   0.56750  1.0 1.0
   33    41    49    54  -0.07550 -1.0 2.0
   33    41    49    54   0.20000  1.0 3.0
   37    33    39    76   0.11950  1.0 1.0
   37    33    39    76   0.20300 -1.0 2.0
   37    33    39    76  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    45  -0.95700  1.0 1.0
   37    33    39    45  -0.18200 -1.0 2.0
   37    33    39    45   0.29450  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    43  -0.11250  1.0 3.0
   37    33    41    49  -0.95700  1.0 1.0
   37    33    41    49  -0.18200 -1.0 2.0
   37    33    41    49   0.29450  1.0 3.0
   37    44    52    53   3.62500 -1.0 2.0
   37    44    52    57   3.62500 -1.0 2.0
   37    44    72    67   3.62500 -1.0 2.0
   37    44   -72    76   3.62500 -1.0 2.0
   38    37    44    52   1.05000 -1.0 2.0
   38    37    44    72   1.05000 -1.0 2.0
   44    52    57    58   3.62500 -1.0 2.0
   44    52    57    62   3.62500 -1.0 2.0
   44    72    76    77   1.05000 -1.0 2.0
   44    72    76    39   2.26350  1.0 1.0
   44    72    76    39   0.76750 -1.0 2.0
   44    72    76    39   0.22500  1.0 3.0
   52    44    72    67   3.62500 -1.0 2.0
   52    44    72    76   3.62500 -1.0 2.0
   52    57    62    63   3.62500 -1.0 2.0
   52    57   -62    67   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    62   3.62500 -1.0 2.0
   57    62    67    68   3.62500 -1.0 2.0
   57    62    67    72   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    67   3.62500 -1.0 2.0
   62    67   -72    44   3.62500 -1.0 2.0
   62    67    72    76   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    72   3.62500 -1.0 2.0
   67    72    76    77   1.05000 -1.0 2.0
   67    72    76    39   2.26350  1.0 1.0
   67    72    76    39   0.76750 -1.0 2.0
   67    72    76    39   0.22500  1.0 3.0
   68    67    72    44   3.62500 -1.0 2.0
   68    67    72    76   3.62500 -1.0 2.0
   72    44    52    53   3.62500 -1.0 2.0
   72    44   -52    57   3.62500 -1.0 2.0
   72    76   -39    33   0.05850 -1.0 2.0
   72    76   -39    33   0.17250  1.0 3.0
   72    76    39    40   0.00000  1.0 1.0
   72    76    39    45   0.05850 -1.0 2.0
   72    76    39    45   0.17250  1.0 3.0
   76    39    45    46  -0.11250  1.0 3.0
   76    39    45    47  -0.11250  1.0 3.0
   76    39    45    48  -0.11250  1.0 3.0
   77    76    39    33   0.30150 -1.0 2.0
   77    76    39    40   0.00000  1.0 1.0
   77    76    39    45   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.05850 -1.0 2.0
   39    33   -37    44   0.17250  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    49   0.56750  1.0 1.0
   39    33    41    49  -0.07550 -1.0 2.0
   39    33    41    49   0.20000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    48   0.15000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    44   0.05850 -1.0 2.0
   41    33    37    44   0.17250  1.0 3.0
   41    33    39    76  -0.95700  1.0 1.0
   41    33    39    76  -0.18200 -1.0 2.0
   41    33    39    76   0.29450  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    45   0.56750  1.0 1.0
   41    33    39    45  -0.07550 -1.0 2.0
   41    33    39    45   0.20000  1.0 3.0
   41    49    54    55   0.15000  1.0 3.0
   41    49    54    56   0.15000  1.0 3.0
   41    49    54    59   0.56750  1.0 1.0
   41    49    54    59  -0.07550 -1.0 2.0
   41    49    54    59   0.20000  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    54   0.15000  1.0 3.0
   43    41    49    50   0.15000  1.0 3.0
   43    41    49    51   0.15000  1.0 3.0
   43    41    49    54   0.15000  1.0 3.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    61   0.15000  1.0 3.0
   49    54    59    64   0.56750  1.0 1.0
   49    54    59    64  -0.07550 -1.0 2.0
   49    54    59    64   0.20000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    59   0.15000  1.0 3.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   54    59    64    69   0.56750  1.0 1.0
   54    59    64    69  -0.07550 -1.0 2.0
   54    59    64    69   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    64   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    64   0.15000  1.0 3.0
   59    64    69    70   0.15000  1.0 3.0
   59    64    69    71   0.15000  1.0 3.0
   59    64    69    73   0.56750  1.0 1.0
   59    64    69    73  -0.07550 -1.0 2.0
   59    64    69    73   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    69   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    69   0.15000  1.0 3.0
   64    69    73    74   0.15000  1.0 3.0
   64    69    73    75   0.15000  1.0 3.0
   64    69    73    78   0.56750  1.0 1.0
   64    69    73    78  -0.07550 -1.0 2.0
   64    69    73    78   0.20000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    73   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    73   0.15000  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81   0.56750  1.0 1.0
   69    73    78    81  -0.07550 -1.0 2.0
   69    73    78    81   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    78   0.15000  1.0 3.0
   73    78    81    82   0.15000  1.0 3.0
   73    78    81    83   0.15000  1.0 3.0
   73    78    81    84   0.56750  1.0 1.0
   73    78    81    84  -0.07550 -1.0 2.0
   73    78    81    84   0.20000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.15000  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   75    73    78    80   0.15000  1.0 3.0
   75    73    78    81   0.15000  1.0 3.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87   0.56750  1.0 1.0
   78    81    84    87  -0.07550 -1.0 2.0
   78    81    84    87   0.20000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.15000  1.0 3.0
   81    84    87    89   0.15000  1.0 3.0
   81    84    87    90   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   52    72    44    37   4.00000 -1.0 2.0
   57    53    52    44   1.10000 -1.0 2.0
   62    58    57    52   1.10000 -1.0 2.0
   67    63    62    57   1.10000 -1.0 2.0
   72    68    67    62   1.10000 -1.0 2.0
   67    76    72    44   4.00000 -1.0 2.0
   72    39    76    77  10.50000 -1.0 2.0
END
