* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    167    251     483
    1     0 S   NP   _N1_     1    31.60376   101.70193   -17.99853
    2     1 S   H    _HN1     2     1.02908    44.53687   -78.17575
    3     1 S   H    _H1_     3     1.02824    71.99052   139.78768
    4     1 S   H    _H2_     4     1.02878   144.44153  -124.22777
    5     1 S   CT   _CA1     5     1.50432   100.44888    31.16405
    6     5 S   HC   _HA1     6     1.09609   105.04758   133.09037
    7     5 S   CO3  _C1_     7     1.54021   111.11640    16.00860
    8     7 S   O2Z  _O11     8     1.26113   116.21888   -95.54162
    9     7 S   O2Z  _O12     9     1.26466   114.15434    82.67496
   10     5 S   CT   _CB1    10     1.52782   106.45699  -111.27954
   11    10 S   HC   HB11    11     1.09690   108.58730   -52.18291
   12    10 S   HC   HB12    12     1.09788   110.67998    64.02316
   13    10 S   CT   _CG1    13     1.52669   113.16471  -172.84541
   14    13 S   HC   HG11    14     1.09404   111.28637   -63.82834
   15    13 S   HC   HG12    15     1.09423   110.56776    55.61753
   16    13 S   C    _CD1    16     1.51355   110.26402   176.41379
   17    16 S   O    _OE1    17     1.22819   121.77844   103.48045
   18    16 S   N    _N2_    18     1.38395   112.80330   -75.26854
   19    18 S   H    _HN2    19     1.01678   119.21570    -1.56398
   20    18 S   CT1  _CA2    20     1.45959   123.46194   176.49848
   21    20 S   HC   _HA2    21     1.09729   109.20614    -0.35553
   22    20 S   C    _C2_    22     1.53735   109.16241  -115.72900
   23    22 S   O    _O2_    23     1.23105   121.89572  -156.25732
   24    20 S   CT   _CB2    32     1.53526   111.52857   121.46270
   25    24 S   HC   HB21    33     1.09378   110.20952    58.79874
   26    24 S   HC   HB22    34     1.09542   110.09689   176.24412
   27    22 S   N    _N3_    24     1.38458   114.12999    31.00793
   28    27 S   H    _HN3    25     1.01501   119.25430    -1.50740
   29    24 S   S    _SG2    35     1.83588   111.72957   -65.78261
   30    27 S   CT   _CA3    26     1.45360   123.39819   177.75694
   31    30 S   HC   HA31    27     1.09527   107.10305   -78.73256
   32    30 S   HC   HA32    28     1.09558   108.51280    37.74398
   33    29 S   CT   _C27    36     1.86684   101.95195   121.00148
   34    30 S   CO3  _C3_    29     1.53047   114.41588   160.43283
   35    34 S   O2Z  _O31    30     1.26356   116.41773     8.30860
   36    34 S   O2Z  _O32    31     1.26458   114.38932  -171.39107
   37    33 S   CM   _C14    37     1.52319   107.91494   -60.51830
   38    37 S   HC   _H38    38     1.09301   112.46134   -52.79660
   39    33 S   CT   _C25    85     1.53671   108.01001    68.60604
   40    39 S   HC   _H53    86     1.09735   111.38370    55.29758
   41    39 S   HC   _H54    87     1.09640   111.07624   173.52679
   42    39 S   HC   _H55    88     1.09477   112.90824   -65.34727
   43    33 S   CT   _C26    89     1.54044   106.16585  -175.73226
   44    43 S   HC   _H56    90     1.09690   111.83737   -61.46805
   45    43 S   HC   _H57    91     1.09680   112.30490    59.68850
   46    43 S   HC   _H58    92     1.09721   110.67988   179.23895
   47    37 S   CMA  _C16    39     1.35506   131.79317   126.67593
   48    47 S   OM   _O25    40     1.26538   126.59379     1.90485
   49    47 S   OS   _O30    41     1.42196   109.17241  -175.25109
   50    49 S   CT   _C18    42     1.43586   117.21576  -148.97599
   51    50 S   HC   _H39    43     1.09625   112.23828   -22.06314
   52    50 S   CA   _C7_    44     1.51418   110.80563  -140.10638
   53    52 S   CA   _C8_    45     1.40156   120.13144  -139.09992
   54    53 S   CA   _C5_    46     1.40028   120.62308   180.00000
   55    54 S   HA   _H34    47     1.08749   120.03179  -178.86082
   56    53 S   OS   _O29    59     1.37042   124.47708     0.10835
   57    54 S   CA   _C4_    48     1.39482   120.60890     2.19642
   58    57 S   HA   _H33    49     1.08706   119.19482   179.18964
   59    56 S   CT   _C20    60     1.44079   117.54886   -10.68732
   60    57 S   CA   _C6_    50     1.39356   119.81754     0.28939
   61    50 S   CT   _C19    61     1.53631   108.28258    98.93690
   62    61 S   HC   _H40    62     1.09692   109.37738   -70.26089
   63    59 S   CT   _C23    77     1.53793   108.77432   -85.36206
   64    63 S   HC   _H47    78     1.09647   110.63436   -58.94652
   65    63 S   HC   _H48    79     1.09490   111.35044  -179.49294
   66    63 S   HC   _H49    80     1.09445   112.24451    58.70466
   67    59 S   CT   _C24    81     1.53887   105.47941   158.99445
   68    67 S   HC   _H50    82     1.09651   110.80771    61.03114
   69    67 S   HC   _H51    83     1.09568   111.50855   -56.45695
   70    67 S   HC   _H52    84     1.09492   111.53461  -178.16923
   71    52 S   CA   _C9_    51     1.40602   122.28537    44.65239
   72    61 S   OS   _O33    63     1.45540   108.66200    49.63971
   73    71 S   OS   _O28    52     1.41520   118.57966     0.10087
   74    72 S   CO4  _C17    64     1.35763   118.70846  -112.04728
   75    74 S   O    _O27    65     1.21877   127.43201     0.41825
   76    73 S   CO4  _C12    53     1.38859   122.86707   178.46328
   77    76 S   O    _O26    54     1.22531   122.26329  -178.43302
   78    74 S   CM   _C13    66     1.48080   106.80304  -178.29165
   79    78 S   HC   _H37    67     1.08762   115.14492    28.71405
   80    76 S   CM   _C11    55     1.47189   116.39981     1.56173
   81    80 S   HC   _H36    56     1.08435   117.18799   178.82098
   82    78 S   CM   _C15    68     1.34492   125.13457  -151.44524
   83    60 S   CM   _C10    57     1.45403   121.59838   178.47069
   84    83 S   HC   _H35    58     1.08460   119.09400     1.45670
   85    82 S   CT   _C21    69     1.50672   119.82797  -178.37418
   86    85 S   HC   _H41    70     1.09496   110.16191   121.89276
   87    85 S   HC   _H42    71     1.09515   112.43257     1.89021
   88    85 S   HC   _H43    72     1.09495   110.33420  -118.27417
   89    82 S   CT   _C22    73     1.50273   125.98491     3.22410
   90    89 S   HC   _H44    74     1.09573   110.07360   131.02021
   91    89 S   HC   _H45    75     1.09114   113.46642    12.08646
   92    89 S   HC   _H46    76     1.09450   110.17551  -109.62253
  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
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  15   7  14  12   8   4  14   7   3  12   7  14   4   8   3
   2   1   4   2   1   1   6   5   5   6   3   5   3  10   3   3
   2   8   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    61  
   49    50  
   50    51    52    53    71    59    61    62    72  
   51    52    53    54    60    71    73    56    59    61    62    72    74    63    67  
   52    53    71    59    61    62    72  
   53    54    55    57    60    71    73    76    83    56    59    61    62    72  
   54    55    57    58    60    71    73    56    59    61    63    67  
   55    57    58    60    71    83    56    59  
   57    58    60    56  
   59    61    62    72    63    64    65    66    67    68    69    70    57    71  
   58    60    71    73    80    83    84  
   60    71    83  
   61    62    72    74    63    64    65    66    67    68    69    70  
   71    73    76    80    81    83    84  
   62    72    74    75    78    63    64    65    66    67    68    69    70    71  
   72    74    63    67  
   64    65    66    67    68    69    70    72  
   65    66    67  
   66    67  
   67  
   68    69    70    72  
   69    70  
   70  
    0  
   73    76    77    80    83    84  
   74    75    78    79    82  
   76    77    80    81    83  
   75    78    79    82    85    89  
   78    79    82  
   77    80    81    83    84  
   80    81    83  
   79    82    85    86    87    88    89    90    91    92  
   82    85    89  
   81    83    84  
   83    84  
   85    86    87    88    89    90    91    92  
   84  
    0  
   86    87    88    89    90    91    92  
   87    88    89  
   88    89  
   89  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    61   268.000  1.529
   52    53   469.000  1.400
   52    71   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    71   469.000  1.400
   60    83   320.000  1.460
   71    73   450.000  1.364
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    80   320.000  1.462
   80    81   340.000  1.080
   80    83   549.000  1.340
   83    84   340.000  1.080
   56    59   320.000  1.410
   59    61   268.000  1.529
   59    63   268.000  1.529
   59    67   268.000  1.529
   61    62   340.000  1.090
   61    72   320.000  1.410
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    78   320.000  1.462
   78    79   340.000  1.080
   78    82   549.000  1.340
   82    85   317.000  1.510
   82    89   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  111.85700
   49    50    61    50.00000  109.50000
   50    52    53    70.00000  120.00000
   50    52    71    70.00000  120.00000
   50    61    59    58.35000  112.70000
   50    61    62    37.50000  110.70000
   50    61    72    50.00000  109.50000
   52    50    51    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    56    70.00000  120.00000
   52    71    60    63.00000  120.00000
   52    71    73    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    75.00000  111.00000
   54    57    58    35.00000  120.00000
   54    57    60    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    60    71    63.00000  120.00000
   57    60    83    60.00000  120.93500
   60    57    58    35.00000  120.00000
   60    71    73    70.00000  120.00000
   60    83    80    60.00000  123.20500
   60    83    84    40.00000  117.26300
   71    52    53    63.00000  120.00000
   71    73    76    85.00000  115.98000
   73    76    77    83.00000  123.40000
   73    76    80    90.00000  111.29400
   76    80    81    40.00000  117.72500
   76    80    83    65.00000  118.96000
   80    76    77    80.00000  123.72100
   80    83    84    35.00000  120.00000
   83    60    71    60.00000  120.93500
   83    80    81    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    61    50.00000  109.50000
   56    59    63    50.00000  109.50000
   56    59    67    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    72    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    70    37.50000  110.70000
   61    50    51    37.50000  110.70000
   61    50    52    70.00000  112.17500
   61    72    74    83.00000  116.90000
   72    61    62    35.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    78    90.00000  111.29400
   74    78    79    40.00000  117.72500
   74    78    82    65.00000  118.96000
   78    74    75    80.00000  123.72100
   78    82    85    70.00000  124.00000
   78    82    89    70.00000  124.00000
   82    78    79    35.00000  120.00000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   82    89    90    35.00000  109.50000
   82    89    91    35.00000  109.50000
   82    89    92    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    82    85    65.00000  117.92700
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   63    59    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    59    61    58.35000  112.70000
   67    59    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.48150  1.0 1.0
   47    49    50    52   0.09250 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    61  -0.46850  1.0 1.0
   47    49    50    61   0.09300 -1.0 2.0
   47    49    50    61  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.64500  1.0 1.0
   49    50    52    53   0.14800 -1.0 2.0
   49    50    52    53   0.20650  1.0 3.0
   49    50    52    71   0.64500  1.0 1.0
   49    50    52    71   0.14800 -1.0 2.0
   49    50    52    71   0.20650  1.0 3.0
   49    50    61    59   0.62750  1.0 1.0
   49    50    61    59  -0.30950 -1.0 2.0
   49    50    61    59   0.27300  1.0 3.0
   49    50    61    62   0.23400  1.0 3.0
   49    50    61    72   1.11900  1.0 1.0
   49    50    61    72  -1.16350 -1.0 2.0
   49    50    61    72  -0.34150  1.0 3.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    56   3.62500 -1.0 2.0
   50    52    71    60   3.62500 -1.0 2.0
   50    52    71    73   3.62500 -1.0 2.0
   50    61    72    74  -0.25900  1.0 1.0
   50    61    72    74  -0.47000 -1.0 2.0
   50    61    72    74   0.11750  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    71   0.00000  1.0 1.0
   51    50    61    59   0.15000  1.0 3.0
   51    50    61    62   0.15000  1.0 3.0
   51    50    61    72   0.23400  1.0 3.0
   52    50    61    59  -0.03700  1.0 1.0
   52    50    61    59   0.37200 -1.0 2.0
   52    50    61    59  -0.47300  1.0 3.0
   52    50    61    62   0.43200  1.0 3.0
   52    50    61    72  -0.64350  1.0 1.0
   52    50    61    72  -0.04200 -1.0 2.0
   52    50    61    72   0.19800  1.0 3.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53   -56    59   1.63200 -1.0 2.0
   52    71    73    76   0.01300  1.0 1.0
   52    71    73    76   0.97950 -1.0 2.0
   52    71    73    76  -0.55700  1.0 3.0
   53    52    71    60   3.62500 -1.0 2.0
   53    52    71    73   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    54   -57    60   3.62500 -1.0 2.0
   53    56    59    61  -0.32850  1.0 1.0
   53    56    59    61  -0.35800 -1.0 2.0
   53    56    59    61   0.33950  1.0 3.0
   53    56    59    63  -0.32850  1.0 1.0
   53    56    59    63  -0.35800 -1.0 2.0
   53    56    59    63   0.33950  1.0 3.0
   53    56    59    67  -0.32850  1.0 1.0
   53    56    59    67  -0.35800 -1.0 2.0
   53    56    59    67   0.33950  1.0 3.0
   54    53    56    59   1.63200 -1.0 2.0
   54    57    60    71   3.62500 -1.0 2.0
   54    57    60    83   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    60   3.62500 -1.0 2.0
   57    60   -71    52   3.62500 -1.0 2.0
   57    60    71    73   3.62500 -1.0 2.0
   57    60    83    80   0.15800  1.0 1.0
   57    60    83    80   1.85350 -1.0 2.0
   57    60    83    80  -0.48700  1.0 3.0
   57    60    83    84   0.56550  1.0 3.0
   58    57    60    71   3.62500 -1.0 2.0
   58    57    60    83   3.62500 -1.0 2.0
   60    71    73    76   0.01300  1.0 1.0
   60    71    73    76   0.97950 -1.0 2.0
   60    71    73    76  -0.55700  1.0 3.0
   71    52   -53    54   3.62500 -1.0 2.0
   71    52    53    56   3.62500 -1.0 2.0
   71    60    83    80   0.15800  1.0 1.0
   71    60    83    80   1.85350 -1.0 2.0
   71    60    83    80  -0.48700  1.0 3.0
   71    60    83    84   0.56550  1.0 3.0
   71    73    76    77   3.00000 -1.0 2.0
   71    73   -76    80   2.00000 -1.0 2.0
   73    76    80    81   1.63100 -1.0 2.0
   73    76    80    83  -0.56150  1.0 1.0
   73    76    80    83   2.19150 -1.0 2.0
   76    80   -83    60   7.00000 -1.0 2.0
   76    80    83    84   7.00000 -1.0 2.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    83   1.00000 -1.0 2.0
   81    80    83    60   7.00000 -1.0 2.0
   81    80    83    84   7.00000 -1.0 2.0
   83    60    71    52   3.62500 -1.0 2.0
   83    60   -71    73   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59   -61    50   0.62750  1.0 1.0
   56    59   -61    50  -0.30950 -1.0 2.0
   56    59   -61    50   0.27300  1.0 3.0
   56    59    61    62   0.23400  1.0 3.0
   56    59    61    72   1.11900  1.0 1.0
   56    59    61    72  -1.16350 -1.0 2.0
   56    59    61    72  -0.34150  1.0 3.0
   56    59    63    64   0.23400  1.0 3.0
   56    59    63    65   0.23400  1.0 3.0
   56    59    63    66   0.23400  1.0 3.0
   56    59    67    68   0.23400  1.0 3.0
   56    59    67    69   0.23400  1.0 3.0
   56    59    67    70   0.23400  1.0 3.0
   59    61    72    74  -0.25900  1.0 1.0
   59    61    72    74  -0.47000 -1.0 2.0
   59    61    72    74   0.11750  1.0 3.0
   61    50   -52    53   0.04150 -1.0 2.0
   61    50    52    71   0.04150 -1.0 2.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    66   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    70   0.15000  1.0 3.0
   61    72    74    75   3.00000 -1.0 2.0
   61    72    74    78   2.00000 -1.0 2.0
   62    61    72    74   0.08050  1.0 3.0
   72    74    78    79   1.63100 -1.0 2.0
   72    74    78    82  -0.56150  1.0 1.0
   72    74    78    82   2.19150 -1.0 2.0
   74    78    82    85   7.00000 -1.0 2.0
   74    78    82    89   7.00000 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    82   1.00000 -1.0 2.0
   78    82    85    86   0.00000  1.0 1.0
   78    82    85    87   0.00000  1.0 1.0
   78    82    85    88   0.00000  1.0 1.0
   78    82    89    90   0.00000  1.0 1.0
   78    82    89    91   0.00000  1.0 1.0
   78    82    89    92   0.00000  1.0 1.0
   79    78    82    85   7.00000 -1.0 2.0
   79    78    82    89   7.00000 -1.0 2.0
   85    82    89    90   0.34800  1.0 3.0
   85    82    89    91   0.34800  1.0 3.0
   85    82    89    92   0.34800  1.0 3.0
   89    82    85    86   0.34800  1.0 3.0
   89    82    85    87   0.34800  1.0 3.0
   89    82    85    88   0.34800  1.0 3.0
   63    59    61    50   0.56750  1.0 1.0
   63    59    61    50  -0.07550 -1.0 2.0
   63    59    61    50   0.20000  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    72   0.62750  1.0 1.0
   63    59    61    72  -0.30950 -1.0 2.0
   63    59    61    72   0.27300  1.0 3.0
   63    59    67    68   0.15000  1.0 3.0
   63    59    67    69   0.15000  1.0 3.0
   63    59    67    70   0.15000  1.0 3.0
   67    59    61    50   0.56750  1.0 1.0
   67    59    61    50  -0.07550 -1.0 2.0
   67    59    61    50   0.20000  1.0 3.0
   67    59    61    62   0.15000  1.0 3.0
   67    59    61    72   0.62750  1.0 1.0
   67    59    61    72  -0.30950 -1.0 2.0
   67    59    61    72   0.27300  1.0 3.0
   67    59    63    64   0.15000  1.0 3.0
   67    59    63    65   0.15000  1.0 3.0
   67    59    63    66   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   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    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   53    71    52    50   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   71    83    60    57   4.00000 -1.0 2.0
   60    73    71    52   4.00000 -1.0 2.0
   73    80    76    77  10.50000 -1.0 2.0
   76    81    80    83   1.10000 -1.0 2.0
   60    84    83    80   1.10000 -1.0 2.0
   72    78    74    75  10.50000 -1.0 2.0
   74    79    78    82  15.00000 -1.0 2.0
   85    89    82    78  15.00000 -1.0 2.0
END
