* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    163    244     472
    1     0 S   NP   _N1_     1    28.69810    97.03086   -21.48879
    2     1 S   H    _HN1     2     1.02836    45.25270   164.19938
    3     1 S   H    _H1_     3     1.02779    88.97403   -79.02881
    4     1 S   H    _H2_     4     1.02959    74.95736    30.26259
    5     1 S   CT   _CA1     5     1.50110   153.73056   135.98030
    6     5 S   HC   _HA1     6     1.09575   105.24097    80.21422
    7     5 S   CO3  _C1_     7     1.53783   112.39156   -40.01977
    8     7 S   O2Z  _O11     8     1.26358   115.00729   -44.24566
    9     7 S   O2Z  _O12     9     1.26239   114.91738   134.97735
   10     5 S   CT   _CB1    10     1.53096   107.43403  -161.87283
   11    10 S   HC   HB11    11     1.09825   109.33576   -50.92585
   12    10 S   HC   HB12    12     1.09819   110.41581    65.62096
   13    10 S   CT   _CG1    13     1.53011   112.67137  -172.02863
   14    13 S   HC   HG11    14     1.09595   110.45357   -63.74214
   15    13 S   HC   HG12    15     1.09653   109.97548    55.48082
   16    13 S   C    _CD1    16     1.51815   112.31974   175.84291
   17    16 S   O    _OE1    17     1.22722   123.25980    -1.68133
   18    16 S   N    _N2_    18     1.38637   111.63443   178.48716
   19    18 S   H    _HN2    19     1.01583   119.03102     1.21434
   20    18 S   CT1  _CA2    20     1.46154   123.35735   179.71469
   21    20 S   HC   _HA2    21     1.09728   109.40195    -7.17236
   22    20 S   C    _C2_    22     1.53517   108.53514  -122.86184
   23    22 S   O    _O2_    23     1.23031   122.17947  -146.65681
   24    20 S   CT   _CB2    32     1.53357   111.59233   114.88821
   25    24 S   HC   HB21    33     1.09599   109.95621    56.20416
   26    24 S   HC   HB22    34     1.09459   109.71885   175.08574
   27    22 S   N    _N3_    24     1.38472   113.51406    40.68489
   28    27 S   H    _HN3    25     1.01511   118.94910    -0.59643
   29    24 S   S    _SG2    35     1.82947   112.03898   -64.98384
   30    27 S   CT   _CA3    26     1.45455   123.48959   175.26054
   31    30 S   HC   HA31    27     1.09522   109.35644    22.37603
   32    30 S   HC   HA32    28     1.09501   107.10064   139.38684
   33    29 S   CT   _C28    36     1.84077    99.72163   170.91821
   34    33 S   HC   _H3_    37     1.09729   106.54843   -52.97212
   35    30 S   CO3  _C3_    29     1.52909   112.99506  -101.18274
   36    35 S   O2Z  _O31    30     1.26410   115.34006   -46.13701
   37    35 S   O2Z  _O32    31     1.26346   115.02472   134.78103
   38    33 S   CA   _C10    38     1.51899   111.44919    66.36615
   39    33 S   CT   _C27    76     1.54095   108.48838  -168.33909
   40    39 S   HC   _H54    77     1.09549   110.45276   -61.26979
   41    39 S   HC   _H55    78     1.09737   110.63589    57.83773
   42    38 S   CA   _C6_    39     1.40266   119.38378  -106.88432
   43    42 S   HA   _H33    40     1.08895   119.02248     0.14804
   44    39 S   CO4  _C18    79     1.52187   111.23573   176.33435
   45    44 S   O    _O26    80     1.22885   122.34968   -39.20917
   46    42 S   CA   _C11    41     1.40558   121.87168   179.60336
   47    44 S   CA   _C9_    81     1.48505   118.73135   140.20390
   48    46 S   CA   _C15    42     1.40440   118.34118     0.09487
   49    46 S   CT   _C25    62     1.51217   118.03342  -177.83057
   50    49 S   HC   _H50    63     1.09672   110.20032  -143.09392
   51    49 S   HC   _H51    64     1.09565   109.68132   -29.74585
   52    47 S   CA   _C4_    82     1.40040   119.85543    35.14777
   53    52 S   HA   _H31    83     1.08669   121.38623     1.02736
   54    48 S   CA   _C12    43     1.40559   121.06381     0.03956
   55    48 S   OH   _O29    60     1.37105   121.89581  -179.70725
   56    55 S   HO   _H59    61     0.96914   110.27955     5.07474
   57    49 S   CM   _C16    65     1.50416   112.07543    94.96130
   58    57 S   HC   _H36    66     1.08959   114.34188    77.67717
   59    52 S   CA   _C5_    84     1.39611   120.13552  -179.76344
   60    59 S   HA   _H32    85     1.08650   119.82514   179.90109
   61    38 S   CA   _C7_    44     1.40053   122.21577    72.74167
   62    61 S   HA   _H34    45     1.08768   119.80353    -0.08393
   63    54 S   CT   _C26    46     1.51232   122.06550   178.34531
   64    63 S   HC   _H52    47     1.09742   109.89367    35.29214
   65    63 S   HC   _H53    48     1.09532   109.56973   148.92927
   66    57 S   CM   _C19    67     1.34722   127.88851  -103.01251
   67    59 S   CA   _C13    86     1.39189   119.76115    -0.18238
   68    63 S   CM   _C17    49     1.50381   112.28356   -85.82376
   69    68 S   HC   _H37    50     1.08992   114.01739    75.28632
   70    66 S   CT   _C21    68     1.50613   120.42135  -179.62413
   71    70 S   HC   _H38    69     1.09495   110.21991   120.60670
   72    70 S   HC   _H39    70     1.09497   110.27164  -119.58004
   73    70 S   HC   _H40    71     1.09509   112.42708     0.52377
   74    66 S   CT   _C22    72     1.50268   125.37259     1.23353
   75    74 S   HC   _H41    73     1.09518   110.05974   121.66921
   76    74 S   HC   _H42    74     1.09502   110.04291  -119.05442
   77    74 S   HC   _H43    75     1.09153   113.67790     1.55771
   78    67 S   CA   _C8_    87     1.39256   120.81274    -0.32686
   79    78 S   HA   _H35    88     1.08640   120.71098  -179.93147
   80    67 S   OH   _O27    92     1.36618   118.14314   179.68041
   81    80 S   HO   _H57    93     0.97251   108.60228  -179.92338
   82    68 S   CM   _C20    51     1.34697   128.00676  -106.39066
   83    47 S   CA   _C14    89     1.40235   120.73719  -145.41345
   84    82 S   CT   _C23    52     1.50574   120.38966  -178.11031
   85    84 S   HC   _H44    53     1.09496   110.16757   119.42609
   86    84 S   HC   _H45    54     1.09420   110.39769  -120.82291
   87    84 S   HC   _H46    55     1.09507   112.43330    -0.66057
   88    82 S   CT   _C24    56     1.50234   125.27659     2.13148
   89    88 S   HC   _H47    57     1.09486   110.05540   124.47295
   90    88 S   HC   _H48    58     1.09490   110.06540  -116.27573
   91    88 S   HC   _H49    59     1.09172   113.62491     4.60832
   92    83 S   OH   _O28    90     1.36895   123.11783     0.48133
   93    92 S   HO   _H58    91     0.97361   108.97398    -6.16440
  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
  14   7   2   1   1  13   9   4   3  11   4   8   3  12  10  13
   9   4   3   8   4  10   3   1  10   3   7   3   5   1   7   4
   3   8   6  10   3   7   3   2   1   3   2   1   1   6   3   2
   1   8   2   7   3   2   1   3   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    61    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    61    62    39    40    41    44    45    47  
   38    42    61    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    48    54    61    62    63    49    39    40    41    44  
   40    41    44    45    47    52    83    42    61  
   41    44    45    47  
   44    45    47  
   43    46    48    54    61    62    55    49    50    51    57  
   46    48    61    49  
   45    47    52    53    59    78    83    92  
   47    52    83  
   48    54    61    63    55    56    49    50    51    57    58    66  
   52    53    59    60    67    78    79    83    92    93  
   54    61    62    63    64    65    68    55    56    49    50    51    57  
   50    51    57    58    66    70    74    54    55  
   51    57    58    66  
   57    58    66  
   53    59    60    67    78    83    92    80  
   59    60    67    83  
   61    62    63    64    65    68    69    82    55    56  
   56    61    63  
    0  
   58    66    70    71    72    73    74    75    76    77  
   66    70    74  
   60    67    78    79    83    80    81  
   67    78    80  
   62    63    64    65    68  
   63  
   64    65    68    69    82    84    88  
   65    68    69    82  
   68    69    82  
   70    71    72    73    74    75    76    77  
   78    79    83    92    80    81  
   69    82    84    85    86    87    88    89    90    91  
   82    84    88  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    83    92    93    80    81  
   83    92    80  
   81    83  
    0  
   84    85    86    87    88    89    90    91  
   92    93  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
   93  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.005000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    61   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    48   469.000  1.400
   46    49   317.000  1.510
   48    54   469.000  1.400
   48    55   450.000  1.364
   54    61   469.000  1.400
   54    63   317.000  1.510
   61    62   367.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   317.000  1.510
   68    69   340.000  1.080
   68    82   549.000  1.340
   82    84   317.000  1.510
   82    88   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   55    56   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   317.000  1.510
   57    58   340.000  1.080
   57    66   549.000  1.340
   66    70   317.000  1.510
   66    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    47   310.000  1.470
   47    52   469.000  1.400
   47    83   469.000  1.400
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    78   469.000  1.400
   67    80   450.000  1.364
   78    79   367.000  1.080
   78    83   469.000  1.400
   83    92   450.000  1.364
   92    93   553.000  0.945
   80    81   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    61    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    61    54    63.00000  120.00000
   38    61    62    35.00000  120.00000
   42    46    48    63.00000  120.00000
   42    46    49    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    48    54    63.00000  120.00000
   46    48    55    70.00000  120.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    57    70.00000  112.99600
   48    54    61    63.00000  120.00000
   48    54    63    70.00000  120.00000
   48    55    56    35.00000  113.00000
   54    61    62    35.00000  120.00000
   54    63    64    35.00000  109.50000
   54    63    65    35.00000  109.50000
   54    63    68    70.00000  112.99600
   61    38    42    63.00000  120.00000
   63    54    61    70.00000  120.00000
   63    68    69    35.00000  117.00000
   63    68    82    70.00000  124.00000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    82    84    70.00000  124.00000
   68    82    88    70.00000  124.00000
   82    68    69    35.00000  120.00000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    82    84    65.00000  117.92700
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   55    48    54    70.00000  120.00000
   49    46    48    70.00000  120.00000
   49    57    58    35.00000  117.00000
   49    57    66    70.00000  124.00000
   51    49    50    33.00000  107.80000
   57    49    50    35.00000  109.50000
   57    49    51    35.00000  109.50000
   57    66    70    70.00000  124.00000
   57    66    74    70.00000  124.00000
   66    57    58    35.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    66    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    47    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    52    60.00000  119.52600
   44    47    83    60.00000  119.52600
   47    44    45    75.00000  123.78400
   47    52    53    35.00000  120.00000
   47    52    59    63.00000  120.00000
   47    83    78    63.00000  120.00000
   47    83    92    70.00000  120.00000
   52    59    60    35.00000  120.00000
   52    59    67    63.00000  120.00000
   59    52    53    35.00000  120.00000
   59    67    78    63.00000  120.00000
   59    67    80    70.00000  120.00000
   67    59    60    35.00000  120.00000
   67    78    79    35.00000  120.00000
   67    78    83    63.00000  120.00000
   67    80    81    35.00000  113.00000
   78    83    92    70.00000  120.00000
   83    47    52    63.00000  120.00000
   83    78    79    35.00000  120.00000
   83    92    93    35.00000  113.00000
   80    67    78    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    61    54   3.62500 -1.0 2.0
   33    38    61    62   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    47   0.05850 -1.0 2.0
   33    39    44    47   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    61   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    48   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    61    54   3.62500 -1.0 2.0
   42    38    61    62   3.62500 -1.0 2.0
   42    46   -48    54   3.62500 -1.0 2.0
   42    46    48    55   3.62500 -1.0 2.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    51   0.00000  1.0 1.0
   42    46    49    57   0.18050 -1.0 2.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    48    54    61   3.62500 -1.0 2.0
   46    48    54    63   3.62500 -1.0 2.0
   46    48    55    56   0.84100 -1.0 2.0
   46    49    57    58   0.00000  1.0 1.0
   46    49    57    66   1.44450  1.0 1.0
   46    49    57    66   0.06600 -1.0 2.0
   46    49    57    66   0.29250  1.0 3.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.00000  1.0 1.0
   48    46    49    57   0.18050 -1.0 2.0
   48    54   -61    38   3.62500 -1.0 2.0
   48    54    61    62   3.62500 -1.0 2.0
   48    54    63    64   0.00000  1.0 1.0
   48    54    63    65   0.00000  1.0 1.0
   48    54    63    68   0.18050 -1.0 2.0
   54    48    55    56   0.84100 -1.0 2.0
   54    63    68    69   0.00000  1.0 1.0
   54    63    68    82   1.44450  1.0 1.0
   54    63    68    82   0.06600 -1.0 2.0
   54    63    68    82   0.29250  1.0 3.0
   61    38    42    43   3.62500 -1.0 2.0
   61    38   -42    46   3.62500 -1.0 2.0
   61    54    63    64   0.00000  1.0 1.0
   61    54    63    65   0.00000  1.0 1.0
   61    54    63    68   0.18050 -1.0 2.0
   63    54    61    38   3.62500 -1.0 2.0
   63    54    61    62   3.62500 -1.0 2.0
   63    68    82    84   7.00000 -1.0 2.0
   63    68    82    88   7.00000 -1.0 2.0
   64    63    68    69   0.33100  1.0 3.0
   64    63    68    82   0.00000  1.0 1.0
   65    63    68    69   0.33100  1.0 3.0
   65    63    68    82   0.00000  1.0 1.0
   68    82    84    85   0.00000  1.0 1.0
   68    82    84    86   0.00000  1.0 1.0
   68    82    84    87   0.00000  1.0 1.0
   68    82    88    89   0.00000  1.0 1.0
   68    82    88    90   0.00000  1.0 1.0
   68    82    88    91   0.00000  1.0 1.0
   69    68    82    84   7.00000 -1.0 2.0
   69    68    82    88   7.00000 -1.0 2.0
   84    82    88    89   0.34800  1.0 3.0
   84    82    88    90   0.34800  1.0 3.0
   84    82    88    91   0.34800  1.0 3.0
   88    82    84    85   0.34800  1.0 3.0
   88    82    84    86   0.34800  1.0 3.0
   88    82    84    87   0.34800  1.0 3.0
   55    48    54    61   3.62500 -1.0 2.0
   55    48    54    63   3.62500 -1.0 2.0
   49    46    48    54   3.62500 -1.0 2.0
   49    46    48    55   3.62500 -1.0 2.0
   49    57    66    70   7.00000 -1.0 2.0
   49    57    66    74   7.00000 -1.0 2.0
   50    49    57    58   0.33100  1.0 3.0
   50    49    57    66   0.00000  1.0 1.0
   51    49    57    58   0.33100  1.0 3.0
   51    49    57    66   0.00000  1.0 1.0
   57    66    70    71   0.00000  1.0 1.0
   57    66    70    72   0.00000  1.0 1.0
   57    66    70    73   0.00000  1.0 1.0
   57    66    74    75   0.00000  1.0 1.0
   57    66    74    76   0.00000  1.0 1.0
   57    66    74    77   0.00000  1.0 1.0
   58    57    66    70   7.00000 -1.0 2.0
   58    57    66    74   7.00000 -1.0 2.0
   70    66    74    75   0.34800  1.0 3.0
   70    66    74    76   0.34800  1.0 3.0
   70    66    74    77   0.34800  1.0 3.0
   74    66    70    71   0.34800  1.0 3.0
   74    66    70    72   0.34800  1.0 3.0
   74    66    70    73   0.34800  1.0 3.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    61   0.04150 -1.0 2.0
   39    44    47    52   2.26350  1.0 1.0
   39    44    47    52   0.76750 -1.0 2.0
   39    44    47    52   0.22500  1.0 3.0
   39    44    47    83   2.26350  1.0 1.0
   39    44    47    83   0.76750 -1.0 2.0
   39    44    47    83   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    47   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    47   0.00000  1.0 1.0
   44    47    52    53   3.62500 -1.0 2.0
   44    47    52    59   3.62500 -1.0 2.0
   44    47    83    78   3.62500 -1.0 2.0
   44    47    83    92   3.62500 -1.0 2.0
   45    44    47    52   1.05000 -1.0 2.0
   45    44    47    83   1.05000 -1.0 2.0
   47    52    59    60   3.62500 -1.0 2.0
   47    52    59    67   3.62500 -1.0 2.0
   47    83    92    93   0.84100 -1.0 2.0
   52    47    83    78   3.62500 -1.0 2.0
   52    47    83    92   3.62500 -1.0 2.0
   52    59   -67    78   3.62500 -1.0 2.0
   52    59    67    80   3.62500 -1.0 2.0
   53    52    59    60   3.62500 -1.0 2.0
   53    52    59    67   3.62500 -1.0 2.0
   59    67    78    79   3.62500 -1.0 2.0
   59    67    78    83   3.62500 -1.0 2.0
   59    67    80    81   0.84100 -1.0 2.0
   60    59    67    78   3.62500 -1.0 2.0
   60    59    67    80   3.62500 -1.0 2.0
   67    78   -83    47   3.62500 -1.0 2.0
   67    78    83    92   3.62500 -1.0 2.0
   78    67    80    81   0.84100 -1.0 2.0
   78    83    92    93   0.84100 -1.0 2.0
   79    78    83    47   3.62500 -1.0 2.0
   79    78    83    92   3.62500 -1.0 2.0
   83    47    52    53   3.62500 -1.0 2.0
   83    47   -52    59   3.62500 -1.0 2.0
   80    67    78    79   3.62500 -1.0 2.0
   80    67    78    83   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    61    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    49    46    42   4.00000 -1.0 2.0
   54    55    48    46   4.00000 -1.0 2.0
   61    63    54    48   4.00000 -1.0 2.0
   54    62    61    38   1.10000 -1.0 2.0
   63    69    68    82  15.00000 -1.0 2.0
   84    88    82    68  15.00000 -1.0 2.0
   49    58    57    66  15.00000 -1.0 2.0
   70    74    66    57  15.00000 -1.0 2.0
   39    47    44    45  10.50000 -1.0 2.0
   52    83    47    44   4.00000 -1.0 2.0
   59    53    52    47   1.10000 -1.0 2.0
   67    60    59    52   1.10000 -1.0 2.0
   78    80    67    59   4.00000 -1.0 2.0
   83    79    78    67   1.10000 -1.0 2.0
   78    92    83    47   4.00000 -1.0 2.0
END
