* LIGAND DATABASE FILE (OPLS2005)
*
001      94    93    158    224     451
    1     0 S   NP   _N1_     1    29.35466    95.92769   -26.22947
    2     1 S   H    _HN1     2     1.02783   120.57721  -105.91349
    3     1 S   H    _H1_     3     1.02958    77.43251    -1.89372
    4     1 S   H    _H2_     4     1.02836    29.71523  -177.51761
    5     1 S   CT   _CA1     5     1.50116   120.70662   104.55825
    6     5 S   HC   _HA1     6     1.09575   105.23282    90.37276
    7     5 S   CO3  _C1_     7     1.53776   112.35478   -29.86914
    8     7 S   O2Z  _O11     8     1.26363   114.99861   -45.05043
    9     7 S   O2Z  _O12     9     1.26234   114.92716   134.08799
   10     5 S   CT   _CB1    10     1.53087   107.42714  -151.71447
   11    10 S   HC   HB11    11     1.09830   109.34248   -50.68744
   12    10 S   HC   HB12    12     1.09818   110.43406    65.86278
   13    10 S   CT   _CG1    13     1.53021   112.65965  -171.74750
   14    13 S   HC   HG11    14     1.09591   110.53685   -64.30402
   15    13 S   HC   HG12    15     1.09655   109.90881    54.93208
   16    13 S   C    _CD1    16     1.51793   112.23626   175.31722
   17    16 S   O    _OE1    17     1.22759   123.29704     1.74552
   18    16 S   N    _N2_    18     1.38608   111.79550  -178.50028
   19    18 S   H    _HN2    19     1.01596   119.08919     3.62930
   20    18 S   CT1  _CA2    20     1.45772   122.66932   177.27983
   21    20 S   HC   _HA2    21     1.09329   109.55996    16.48277
   22    20 S   C    _C2_    22     1.52628   105.00906  -100.23396
   23    22 S   O    _O2_    23     1.22985   122.48828   -81.32070
   24    20 S   CT   _CB2    32     1.53110   111.71216   140.16052
   25    24 S   HC   HB21    33     1.09664   110.07128    49.55391
   26    24 S   HC   HB22    34     1.09429   111.16980   166.87367
   27    22 S   N    _N3_    24     1.38477   112.92675    94.55978
   28    27 S   H    _HN3    25     1.01670   120.18856    -1.31164
   29    24 S   S    _SG2    35     1.83140   113.28891   -69.42444
   30    27 S   CT   _CA3    26     1.45348   122.39647  -178.25561
   31    30 S   HC   HA31    27     1.09558   107.63091   -56.48882
   32    30 S   HC   HA32    28     1.09552   107.86792    59.65055
   33    29 S   CT   _C17    36     1.84304   100.95650   -72.57073
   34    33 S   HC   _H3_    37     1.09007   106.05809    51.51311
   35    30 S   CO3  _C3_    29     1.52804   113.84541  -179.34002
   36    35 S   O2Z  _O31    30     1.26347   115.66671   -30.25281
   37    35 S   O2Z  _O32    31     1.26388   114.76298   150.02386
   38    33 S   CM   _C15    38     1.52712   110.78619   -69.39867
   39    33 S   CT   _C18    85     1.53695   108.55169   165.14619
   40    39 S   HC   _H20    86     1.09789   111.31229   -55.86008
   41    39 S   HC   _H21    87     1.09680   112.00193    62.98957
   42    38 S   CM   _C14    39     1.35099   124.65663   113.10293
   43    42 S   HC   _H16    40     1.08996   117.94769   179.79729
   44    38 S   CT   _C16    81     1.51419   117.08140   -67.81243
   45    44 S   HC   _H17    82     1.09397   110.79240   -64.21494
   46    44 S   HC   _H18    83     1.09383   111.21828    56.77571
   47    44 S   HC   _H19    84     1.09576   112.20860   176.33040
   48    39 S   CO4  _C19    88     1.51144   111.72375  -175.59438
   49    48 S   O    _O33    89     1.22414   123.78830  -116.29619
   50    42 S   CM   _C13    41     1.44784   127.61458    -0.77304
   51    50 S   HC   _H15    42     1.08391   118.35881     2.73824
   52    48 S   OS   _O34    90     1.36344   110.22219    64.20076
   53    50 S   CM   _C12    43     1.34314   122.98322  -176.38394
   54    53 S   HC   _H14    44     1.08830   120.05705     0.85729
   55    52 S   CT   _C20    91     1.43021   115.29645  -178.75983
   56    55 S   HC   _H22    92     1.09332   108.09401   178.65754
   57    55 S   HC   _H23    93     1.09430   110.30620    60.02855
   58    55 S   HC   _H24    94     1.09411   110.26192   -62.61160
   59    53 S   CM   _C10    45     1.46083   124.41906   177.94672
   60    59 S   CM   _C9_    46     1.34861   121.02700    48.06784
   61    60 S   HC   _H10    47     1.09020   118.39443     0.13122
   62    59 S   CT   _C11    77     1.50604   112.96548  -133.52971
   63    62 S   HC   _H11    78     1.09582   110.26068    59.13413
   64    62 S   HC   _H12    79     1.09174   113.76138   179.37099
   65    62 S   HC   _H13    80     1.09594   110.40291   -60.35805
   66    60 S   CM   _C8_    48     1.44864   127.16418  -179.55898
   67    66 S   HC   _H9_    49     1.08535   118.10520     1.57396
   68    66 S   CM   _C7_    50     1.34344   122.76487  -179.44999
   69    68 S   HC   _H8_    51     1.08453   119.03907     0.54572
   70    68 S   CM   _C6_    52     1.44989   122.60217  -178.91142
   71    70 S   HC   _H7_    53     1.09096   113.93026     1.24914
   72    70 S   CM   _C5_    54     1.35062   127.72585  -179.13069
   73    72 S   CM   _C21    55     1.46753   118.19394  -179.65170
   74    73 S   HC   _H25    56     1.09029   115.29382     0.19180
   75    72 S   CT   _C4_    73     1.50842   124.52917     0.32924
   76    75 S   HC   _H4_    74     1.09580   110.47750  -119.51038
   77    75 S   HC   _H5_    75     1.09181   113.85872     0.37639
   78    75 S   HC   _H6_    76     1.09583   110.48537   120.12737
   79    73 S   CM   _C22    57     1.34457   126.79680  -179.87333
   80    79 S   HC   _H26    58     1.08294   119.83589     0.01978
   81    79 S   CM   _C23    59     1.45119   122.52503  -179.94766
   82    81 S   HC   _H27    60     1.09083   114.05020     0.13848
   83    81 S   CM   _C24    61     1.35081   127.75564  -179.88809
   84    83 S   CM   _C26    62     1.46776   118.19273  -179.97202
   85    84 S   HC   _H31    63     1.08943   115.22999    -0.00000
   86    83 S   CT   _C25    69     1.50851   124.60526     0.02798
   87    86 S   HC   _H28    70     1.09581   110.48336  -119.76250
   88    86 S   HC   _H29    71     1.09582   110.48497   119.86414
   89    86 S   HC   _H30    72     1.09176   113.87720     0.05595
   90    84 S   CM   _C27    64     1.34214   126.63113   180.00000
   91    90 S   HC   _H32    65     1.08792   120.81211    -0.01978
   92    90 S   CO3  _C28    66     1.53566   121.86791  -179.97202
   93    92 S   O2Z  _O36    67     1.26251   117.02837    -0.00000
   94    92 S   O2Z  _O35    68     1.26624   113.86746   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  13   8   4   3  10   4   4   2   1   1   6
   2   6   3   4   9   3   3   2   1   1   9  10   4   4   2   1
   1   6   3   6   3   9   3   9  10   4   4   2   1   1   6   3
   9   3   9  10   4   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    50    44    45    46    47    39    40    41    48    49    52  
   38    42    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    50    51    53    44    45    46    47    39    40    41    48  
   40    41    48    49    52    55    42    44  
   41    48    49    52  
   48    49    52  
   43    50    51    53    54    59    44    45    46    47  
   50    51    53    44  
   45    46    47    50  
   46    47  
   47  
    0  
   49    52    55    56    57    58  
   52    55  
   51    53    54    59    60    62  
   53    54    59  
   55    56    57    58  
   54    59    60    61    66    62    63    64    65  
   59    60    62  
   56    57    58  
   57    58  
   58  
    0  
   60    61    66    67    68    62    63    64    65  
   61    66    67    68    69    70    62    63    64    65  
   66    67    68    62  
   63    64    65    66  
   64    65  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73    75  
   70    71    72  
   71    72    73    74    79    75    76    77    78  
   72    73    75  
   73    74    79    80    81    75    76    77    78  
   74    79    80    81    82    83    75    76    77    78  
   79    80    81    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82    83    84    86  
   81    82    83  
   82    83    84    85    90    86    87    88    89  
   83    84    86  
   84    85    90    91    92    86    87    88    89  
   85    90    91    92    93    94    86    87    88    89  
   90    91    92    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    50   380.000  1.444
   50    51   340.000  1.080
   50    53   549.000  1.340
   53    54   340.000  1.080
   53    59   380.000  1.444
   59    60   549.000  1.340
   59    62   317.000  1.510
   60    61   340.000  1.080
   60    66   380.000  1.444
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   340.000  1.080
   68    70   380.000  1.444
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   380.000  1.444
   72    75   317.000  1.510
   73    74   340.000  1.080
   73    79   549.000  1.340
   79    80   340.000  1.080
   79    81   380.000  1.444
   81    82   340.000  1.080
   81    83   549.000  1.340
   83    84   380.000  1.444
   83    86   317.000  1.510
   84    85   340.000  1.080
   84    90   549.000  1.340
   90    91   340.000  1.080
   90    92   230.000  1.545
   92    93   656.000  1.250
   92    94   656.000  1.250
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   317.000  1.522
   48    49   570.000  1.229
   48    52   214.000  1.327
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    50    70.00000  123.01800
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    50    51    35.00000  120.00000
   42    50    53    70.00000  123.01800
   50    42    43    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    59    70.00000  123.01800
   53    50    51    35.00000  120.00000
   53    59    60    70.00000  123.01800
   53    59    62    70.00000  124.00000
   59    53    54    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    66    70.00000  123.01800
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   60    66    67    35.00000  120.00000
   60    66    68    70.00000  123.01800
   66    60    61    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    70.00000  123.01800
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    70.00000  123.01800
   70    68    69    35.00000  120.00000
   70    72    73    70.00000  123.01800
   70    72    75    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    79    70.00000  123.01800
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   73    79    80    35.00000  120.00000
   73    79    81    70.00000  123.01800
   79    73    74    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    70.00000  123.01800
   81    79    80    35.00000  120.00000
   81    83    84    70.00000  123.01800
   81    83    86    70.00000  124.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  120.00000
   83    84    90    70.00000  123.01800
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   84    90    91    35.00000  120.00000
   84    90    92    55.00000  124.75400
   90    84    85    35.00000  120.00000
   90    92    93    85.00000  113.83300
   90    92    94    85.00000  113.83300
   92    90    91    40.00000  118.53000
   94    92    93    80.00000  126.00000
   86    83    84    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   75    72    73    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   62    59    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    48    49    80.00000  120.40000
   39    48    52    81.00000  111.40000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
   48    52    55    83.00000  116.90000
   52    48    49    83.00000  123.40000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  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    48   0.56750  1.0 1.0
   29    33    39    48  -0.07550 -1.0 2.0
   29    33    39    48   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   33    39    48    49   0.30150 -1.0 2.0
   33    39    48    52   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    48  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    48  -0.98800  1.0 1.0
   38    33    39    48   0.48800 -1.0 2.0
   38    33    39    48   0.76800  1.0 3.0
   38    42    50    51  -0.18600  1.0 3.0
   38    42    50    53   0.28850  1.0 1.0
   38    42    50    53   2.61350 -1.0 2.0
   38    42    50    53   0.78400  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    50    53    54   7.00000 -1.0 2.0
   42    50    53    59   7.00000 -1.0 2.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    53  -0.18600  1.0 3.0
   50    53    59    60   0.28850  1.0 1.0
   50    53    59    60   2.61350 -1.0 2.0
   50    53    59    60   0.78400  1.0 3.0
   50    53    59    62  -0.18600  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    59   7.00000 -1.0 2.0
   53    59    60    61   7.00000 -1.0 2.0
   53    59    60    66   7.00000 -1.0 2.0
   53    59    62    63   0.00000  1.0 1.0
   53    59    62    64   0.00000  1.0 1.0
   53    59    62    65   0.00000  1.0 1.0
   54    53    59    60  -0.18600  1.0 3.0
   54    53    59    62   0.00000  1.0 1.0
   59    60    66    67  -0.18600  1.0 3.0
   59    60    66    68   0.28850  1.0 1.0
   59    60    66    68   2.61350 -1.0 2.0
   59    60    66    68   0.78400  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   60    59    62    65   0.00000  1.0 1.0
   60    66    68    69   7.00000 -1.0 2.0
   60    66    68    70   7.00000 -1.0 2.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    68  -0.18600  1.0 3.0
   66    68    70    71  -0.18600  1.0 3.0
   66    68    70    72   0.28850  1.0 1.0
   66    68    70    72   2.61350 -1.0 2.0
   66    68    70    72   0.78400  1.0 3.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    70   7.00000 -1.0 2.0
   68    70    72    73   7.00000 -1.0 2.0
   68    70    72    75   7.00000 -1.0 2.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72  -0.18600  1.0 3.0
   70    72    73    74  -0.18600  1.0 3.0
   70    72    73    79   0.28850  1.0 1.0
   70    72    73    79   2.61350 -1.0 2.0
   70    72    73    79   0.78400  1.0 3.0
   70    72    75    76   0.00000  1.0 1.0
   70    72    75    77   0.00000  1.0 1.0
   70    72    75    78   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    75   7.00000 -1.0 2.0
   72    73    79    80   7.00000 -1.0 2.0
   72    73    79    81   7.00000 -1.0 2.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   73    72    75    78   0.00000  1.0 1.0
   73    79    81    82  -0.18600  1.0 3.0
   73    79    81    83   0.28850  1.0 1.0
   73    79    81    83   2.61350 -1.0 2.0
   73    79    81    83   0.78400  1.0 3.0
   74    73    79    80   7.00000 -1.0 2.0
   74    73    79    81   7.00000 -1.0 2.0
   79    81    83    84   7.00000 -1.0 2.0
   79    81    83    86   7.00000 -1.0 2.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83  -0.18600  1.0 3.0
   81    83    84    85  -0.18600  1.0 3.0
   81    83    84    90   0.28850  1.0 1.0
   81    83    84    90   2.61350 -1.0 2.0
   81    83    84    90   0.78400  1.0 3.0
   81    83    86    87   0.00000  1.0 1.0
   81    83    86    88   0.00000  1.0 1.0
   81    83    86    89   0.00000  1.0 1.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    86   7.00000 -1.0 2.0
   83    84    90    91   7.00000 -1.0 2.0
   83    84    90    92   7.00000 -1.0 2.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   84    83    86    89   0.00000  1.0 1.0
   84    90    92    93  -0.04000 -1.0 2.0
   84    90    92    93  -0.29050  1.0 3.0
   84    90    92    94  -0.04000 -1.0 2.0
   84    90    92    94  -0.29050  1.0 3.0
   85    84    90    91   7.00000 -1.0 2.0
   85    84    90    92   7.00000 -1.0 2.0
   91    90    92    93   0.00000  1.0 1.0
   91    90    92    94   0.00000  1.0 1.0
   86    83    84    85   0.00000  1.0 1.0
   86    83    84    90  -0.18600  1.0 3.0
   75    72    73    74   0.00000  1.0 1.0
   75    72    73    79  -0.18600  1.0 3.0
   62    59    60    61   7.00000 -1.0 2.0
   62    59    60    66   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    50   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   39    48    52    55   1.63150  1.0 1.0
   39    48    52    55   2.92000 -1.0 2.0
   40    39    48    49   0.00000  1.0 1.0
   40    39    48    52   0.00000  1.0 1.0
   41    39    48    49   0.00000  1.0 1.0
   41    39    48    52   0.00000  1.0 1.0
   48    52    55    56   0.08050  1.0 3.0
   48    52    55    57   0.08050  1.0 3.0
   48    52    55    58   0.08050  1.0 3.0
   49    48    52    55   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    42  15.00000 -1.0 2.0
   50    43    42    38  15.00000 -1.0 2.0
   42    51    50    53  15.00000 -1.0 2.0
   59    54    53    50  15.00000 -1.0 2.0
   53    62    59    60  15.00000 -1.0 2.0
   66    61    60    59  15.00000 -1.0 2.0
   60    67    66    68  15.00000 -1.0 2.0
   70    69    68    66  15.00000 -1.0 2.0
   68    71    70    72  15.00000 -1.0 2.0
   73    75    72    70  15.00000 -1.0 2.0
   72    74    73    79  15.00000 -1.0 2.0
   81    80    79    73  15.00000 -1.0 2.0
   79    82    81    83  15.00000 -1.0 2.0
   84    86    83    81  15.00000 -1.0 2.0
   83    85    84    90  15.00000 -1.0 2.0
   92    91    90    84  15.00000 -1.0 2.0
   93    90    92    94  10.50000 -1.0 2.0
   39    52    48    49  10.50000 -1.0 2.0
END
