* LIGAND DATABASE FILE (OPLS2005)
*
001      96    97    166    216     453
    1     0 S   NP   _N1_     1    28.98019    95.31366   -19.83313
    2     1 S   H    _HN1     2     1.02830    39.54231   130.46477
    3     1 S   H    _H1_     3     1.02781    87.16103  -106.63184
    4     1 S   H    _H2_     4     1.02946    82.76991     2.30919
    5     1 S   CT   _CA1     5     1.50117   149.99124   121.18777
    6     5 S   HC   _HA1     6     1.09578   105.18963    65.49618
    7     5 S   CO3  _C1_     7     1.53786   112.49771   -54.70513
    8     7 S   O2Z  _O11     8     1.26389   115.02340   -40.31160
    9     7 S   O2Z  _O12     9     1.26199   114.95256   138.78157
   10     5 S   CT   _CB1    10     1.53078   107.44031  -176.45458
   11    10 S   HC   HB11    11     1.09828   109.44551   -48.77466
   12    10 S   HC   HB12    12     1.09794   110.44903    67.87215
   13    10 S   CT   _CG1    13     1.52945   112.50740  -169.66054
   14    13 S   HC   HG11    14     1.09524   110.62328   -64.70560
   15    13 S   HC   HG12    15     1.09478   109.57069    54.39355
   16    13 S   C    _CD1    16     1.51743   112.37791   174.73117
   17    16 S   O    _OE1    17     1.22750   123.16992     6.27104
   18    16 S   N    _N2_    18     1.38583   111.73009  -174.11763
   19    18 S   H    _HN2    19     1.01659   119.27797     1.46514
   20    18 S   CT1  _CA2    20     1.46039   123.52407  -179.86438
   21    20 S   HC   _HA2    21     1.09707   109.08302    -5.38208
   22    20 S   C    _C2_    22     1.53497   108.86120  -121.17639
   23    22 S   O    _O2_    23     1.23077   122.14133  -154.13362
   24    20 S   CT   _CB2    32     1.53511   112.14992   116.45683
   25    24 S   HC   HB21    33     1.09432   110.69546    67.05325
   26    24 S   HC   HB22    34     1.09590   109.62890  -176.06702
   27    22 S   N    _N3_    24     1.38299   113.84931    32.89738
   28    27 S   H    _HN3    25     1.01611   119.36546    -2.86826
   29    24 S   S    _SG2    35     1.83024   112.17884   -57.50486
   30    27 S   CT   _CA3    26     1.45220   123.20703   178.59556
   31    30 S   HC   HA31    27     1.09539   107.64731   -63.68504
   32    30 S   HC   HA32    28     1.09572   107.80877    52.73743
   33    29 S   CT   _C11    36     1.84634   100.79437   122.27565
   34    33 S   HC   _H3_    37     1.09399   103.19886    59.22270
   35    30 S   CO3  _C3_    29     1.52929   114.10885   174.77715
   36    35 S   O2Z  _O31    30     1.26372   116.09542     6.34273
   37    35 S   O2Z  _O32    31     1.26427   114.42075  -173.67529
   38    33 S   CA   _C10    38     1.53233   111.09859   176.09545
   39    33 S   CM   _C12    65     1.51712   111.78716   -57.59238
   40    39 S   HC   _H8_    66     1.08908   115.59979   -49.34725
   41    38 S   CA   _C5_    39     1.41792   122.48086    66.00530
   42    39 S   CMA  _C13    67     1.35696   125.13427   130.21963
   43    42 S   OM   _O39    68     1.26461   129.63171     1.82992
   44    41 S   CA   _C6_    40     1.40683   120.44734   178.22668
   45    44 S   HA   _H7_    41     1.08383   119.59206   179.48300
   46    41 S   OS   _O33    60     1.37410   116.32261    -2.15604
   47    42 S   CA   _C14    69     1.50140   110.87094  -179.72164
   48    44 S   CA   _C7_    42     1.39751   121.06861    -0.84302
   49    46 S   CT   _C4_    61     1.42105   118.40187   178.82547
   50    49 S   HC   _H4_    62     1.09337   107.60120   179.80317
   51    49 S   HC   _H5_    63     1.09476   111.20310    62.38101
   52    49 S   HC   _H6_    64     1.09474   111.14524   -62.44092
   53    47 S   CA   _C15    70     1.41005   120.87705   -92.87845
   54    48 S   CA   _C8_    43     1.39749   118.76933    -0.01978
   55    48 S   OS   _O42    55     1.37109   125.23515  -179.84174
   56    53 S   CA   _C16    71     1.39941   120.76925   179.51181
   57    53 S   OH   _O38    95     1.37304   121.70348    -0.76566
   58    57 S   HO   _H21    96     0.97284   108.58051    -6.66380
   59    38 S   CA   _C9_    44     1.41041   119.75660  -114.93394
   60    54 S   OS   _O41    50     1.37505   119.31238   179.72375
   61    55 S   CT   _C26    56     1.42207   117.37330     0.34887
   62    61 S   HC   _H28    57     1.09429   107.73544   179.82529
   63    61 S   HC   _H29    58     1.09497   111.14589    62.12419
   64    61 S   HC   _H30    59     1.09495   111.14210   -62.46923
   65    56 S   CA   _C17    72     1.39732   120.10376     2.54160
   66    56 S   OS   _O37    90     1.37260   119.78183   178.73762
   67    59 S   OS   _O40    45     1.37514   119.87519     0.74099
   68    60 S   CT   _C25    51     1.42836   110.05667    94.48266
   69    68 S   HC   _H25    52     1.09406   107.77078  -178.30453
   70    68 S   HC   _H26    53     1.09524   111.35093    63.43909
   71    68 S   HC   _H27    54     1.09559   111.30519   -60.04743
   72    65 S   CA   _C18    73     1.39751   119.99780    -4.16584
   73    65 S   OS   _O36    85     1.37213   120.13575   179.45896
   74    66 S   CT   _C23    91     1.42808   109.98001    93.42386
   75    74 S   HC   _H18    92     1.09408   107.76921  -176.77093
   76    74 S   HC   _H19    93     1.09509   111.08272    65.17839
   77    74 S   HC   _H20    94     1.09559   111.47572   -58.46448
   78    67 S   CT   _C24    46     1.42860   110.43629    99.28737
   79    78 S   HC   _H22    47     1.09405   107.72835  -172.20983
   80    78 S   HC   _H23    48     1.09467   111.20298    69.67250
   81    78 S   HC   _H24    49     1.09552   111.60144   -53.84337
   82    47 S   CA   _C19    74     1.41335   120.76647    87.83063
   83    72 S   OS   _O35    80     1.37186   118.76993  -179.34032
   84    73 S   CT   _C22    86     1.42775   110.03456   -90.47137
   85    84 S   HC   _H15    87     1.09406   107.79063  -179.16023
   86    84 S   HC   _H16    88     1.09538   111.30665    62.58475
   87    84 S   HC   _H17    89     1.09554   111.31270   -60.89344
   88    82 S   OS   _O34    75     1.37505   118.92155    -2.59654
   89    83 S   CT   _C21    81     1.42653   110.64484   100.64616
   90    89 S   HC   _H12    82     1.09400   107.81178  -171.17256
   91    89 S   HC   _H13    83     1.09377   110.87175    70.88759
   92    89 S   HC   _H14    84     1.09584   111.59717   -52.71779
   93    88 S   CT   _C20    76     1.42733   111.09307   105.36740
   94    93 S   HC   _H9_    77     1.09413   107.71524  -161.61496
   95    93 S   HC   _H10    78     1.09410   110.64979    80.71249
   96    93 S   HC   _H11    79     1.09585   112.24364   -42.87816
  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   8   5   4   3
  13   6   2   1   1  14   8   3  12   8   3   9   4   6  11  10
   3   2   1   1  10  10   6  13   4   1   7   5   3   2   1   1
  12   6   4   3   2   1   1  10   6   3   2   1   1   3   2   1
   1   7   5   3   2   1   1   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    54    59    67    46    39    40    42    43    47  
   38    41    59    39    40    42  
   36    37  
   37  
    0  
   41    44    45    48    54    59    67    78    60    46    49    39    40    42  
   40    42    43    47    53    82    41    59  
   42    43    47  
   44    45    48    54    59    67    55    46    49    50    51    52  
   43    47    53    56    72    82    88    57  
   47    53    82  
   45    48    54    59    60    55    61    46    49  
   48    54    55    46  
   49    50    51    52    48    59  
   53    56    65    72    82    88    93    83    66    57    58  
   54    59    67    60    68    55    61    62    63    64  
   50    51    52  
   51    52  
   52  
    0  
   56    65    72    82    88    73    66    74    57    58  
   59    67    78    60    68    69    70    71    55    61  
   61    62    63    64    59    60  
   65    72    82    83    73    84    66    74    75    76    77    57    58  
   58    65    66    82  
    0  
   67    78    79    80    81    60    68  
   68    69    70    71    67  
   62    63    64  
   63    64  
   64  
    0  
   72    82    88    83    89    73    84    85    86    87    66    74  
   74    75    76    77    72    73  
   78    79    80    81  
   69    70    71  
   70    71  
   71  
    0  
   82    88    93    83    89    90    91    92    73    84  
   84    85    86    87    82    83  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   88    93    94    95    96    83    89  
   89    90    91    92    88  
   85    86    87  
   86    87  
   87  
    0  
   93    94    95    96  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96  
   95    96  
   96  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    44   469.000  1.400
   41    46   450.000  1.364
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    54   469.000  1.400
   48    55   450.000  1.364
   54    59   469.000  1.400
   54    60   450.000  1.364
   59    67   450.000  1.364
   67    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   60    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    47   320.000  1.460
   47    53   469.000  1.400
   47    82   469.000  1.400
   53    56   469.000  1.400
   53    57   450.000  1.364
   56    65   469.000  1.400
   56    66   450.000  1.364
   65    72   469.000  1.400
   65    73   450.000  1.364
   72    82   469.000  1.400
   72    83   450.000  1.364
   82    88   450.000  1.364
   88    93   320.000  1.410
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   83    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   66    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   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  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    44    63.00000  120.00000
   38    41    46    70.00000  120.00000
   38    59    54    63.00000  120.00000
   38    59    67    70.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    48    63.00000  120.00000
   41    46    49    75.00000  111.00000
   44    48    54    63.00000  120.00000
   44    48    55    70.00000  120.00000
   48    44    45    35.00000  120.00000
   48    54    59    63.00000  120.00000
   48    54    60    70.00000  120.00000
   48    55    61    75.00000  111.00000
   54    59    67    70.00000  120.00000
   54    60    68    75.00000  111.00000
   59    38    41    63.00000  120.00000
   59    67    78    75.00000  111.00000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   60    54    59    70.00000  120.00000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    48    54    70.00000  120.00000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   46    41    44    70.00000  120.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    47    60.00000  123.20500
   42    39    40    40.00000  120.50800
   42    47    53    60.00000  120.93500
   42    47    82    60.00000  120.93500
   47    42    43    85.00000  114.86500
   47    53    56    63.00000  120.00000
   47    53    57    70.00000  120.00000
   47    82    72    63.00000  120.00000
   47    82    88    70.00000  120.00000
   53    56    65    63.00000  120.00000
   53    56    66    70.00000  120.00000
   53    57    58    35.00000  113.00000
   56    65    72    63.00000  120.00000
   56    65    73    70.00000  120.00000
   56    66    74    75.00000  111.00000
   65    72    82    63.00000  120.00000
   65    72    83    70.00000  120.00000
   65    73    84    75.00000  111.00000
   72    82    88    70.00000  120.00000
   72    83    89    75.00000  111.00000
   82    47    53    63.00000  120.00000
   82    88    93    75.00000  111.00000
   88    93    94    35.00000  109.50000
   88    93    95    35.00000  109.50000
   88    93    96    35.00000  109.50000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   83    72    82    70.00000  120.00000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    65    72    70.00000  120.00000
   73    84    85    35.00000  109.50000
   73    84    86    35.00000  109.50000
   73    84    87    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
   66    56    65    70.00000  120.00000
   66    74    75    35.00000  109.50000
   66    74    76    35.00000  109.50000
   66    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    53    56    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    59    54   3.62500 -1.0 2.0
   33    38    59    67   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    48   3.62500 -1.0 2.0
   38    41    46    49   1.63200 -1.0 2.0
   38    59    67    78   1.63200 -1.0 2.0
   41    38    59    54   3.62500 -1.0 2.0
   41    38    59    67   3.62500 -1.0 2.0
   41    44   -48    54   3.62500 -1.0 2.0
   41    44    48    55   3.62500 -1.0 2.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51   0.08050  1.0 3.0
   41    46    49    52   0.08050  1.0 3.0
   44    41    46    49   1.63200 -1.0 2.0
   44    48    54    59   3.62500 -1.0 2.0
   44    48    54    60   3.62500 -1.0 2.0
   44    48    55    61   1.63200 -1.0 2.0
   45    44    48    54   3.62500 -1.0 2.0
   45    44    48    55   3.62500 -1.0 2.0
   48    54   -59    38   3.62500 -1.0 2.0
   48    54    59    67   3.62500 -1.0 2.0
   48    54    60    68   1.63200 -1.0 2.0
   48    55    61    62   0.08050  1.0 3.0
   48    55    61    63   0.08050  1.0 3.0
   48    55    61    64   0.08050  1.0 3.0
   54    48    55    61   1.63200 -1.0 2.0
   54    59    67    78   1.63200 -1.0 2.0
   54    60    68    69   0.08050  1.0 3.0
   54    60    68    70   0.08050  1.0 3.0
   54    60    68    71   0.08050  1.0 3.0
   59    38   -41    44   3.62500 -1.0 2.0
   59    38    41    46   3.62500 -1.0 2.0
   59    54    60    68   1.63200 -1.0 2.0
   59    67    78    79   0.08050  1.0 3.0
   59    67    78    80   0.08050  1.0 3.0
   59    67    78    81   0.08050  1.0 3.0
   60    54    59    38   3.62500 -1.0 2.0
   60    54    59    67   3.62500 -1.0 2.0
   55    48    54    59   3.62500 -1.0 2.0
   55    48    54    60   3.62500 -1.0 2.0
   46    41    44    45   3.62500 -1.0 2.0
   46    41    44    48   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    42    47    53   0.15800  1.0 1.0
   39    42    47    53   1.85350 -1.0 2.0
   39    42    47    53  -0.48700  1.0 3.0
   39    42    47    82   0.15800  1.0 1.0
   39    42    47    82   1.85350 -1.0 2.0
   39    42    47    82  -0.48700  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    47   7.00000 -1.0 2.0
   42    47    53    56   3.62500 -1.0 2.0
   42    47    53    57   3.62500 -1.0 2.0
   42    47    82    72   3.62500 -1.0 2.0
   42    47    82    88   3.62500 -1.0 2.0
   43    42    47    53  -0.01750  1.0 1.0
   43    42    47    53  -0.32000 -1.0 2.0
   43    42    47    53   0.00600  1.0 3.0
   43    42    47    82  -0.01750  1.0 1.0
   43    42    47    82  -0.32000 -1.0 2.0
   43    42    47    82   0.00600  1.0 3.0
   47    53    56    65   3.62500 -1.0 2.0
   47    53    56    66   3.62500 -1.0 2.0
   47    53    57    58   0.84100 -1.0 2.0
   47    82    88    93   1.63200 -1.0 2.0
   53    47    82    72   3.62500 -1.0 2.0
   53    47    82    88   3.62500 -1.0 2.0
   53    56   -65    72   3.62500 -1.0 2.0
   53    56    65    73   3.62500 -1.0 2.0
   53    56    66    74   1.63200 -1.0 2.0
   56    53    57    58   0.84100 -1.0 2.0
   56    65    72    82   3.62500 -1.0 2.0
   56    65    72    83   3.62500 -1.0 2.0
   56    65    73    84   1.63200 -1.0 2.0
   56    66    74    75   0.08050  1.0 3.0
   56    66    74    76   0.08050  1.0 3.0
   56    66    74    77   0.08050  1.0 3.0
   65    56    66    74   1.63200 -1.0 2.0
   65    72   -82    47   3.62500 -1.0 2.0
   65    72    82    88   3.62500 -1.0 2.0
   65    72    83    89   1.63200 -1.0 2.0
   65    73    84    85   0.08050  1.0 3.0
   65    73    84    86   0.08050  1.0 3.0
   65    73    84    87   0.08050  1.0 3.0
   72    65    73    84   1.63200 -1.0 2.0
   72    82    88    93   1.63200 -1.0 2.0
   72    83    89    90   0.08050  1.0 3.0
   72    83    89    91   0.08050  1.0 3.0
   72    83    89    92   0.08050  1.0 3.0
   82    47   -53    56   3.62500 -1.0 2.0
   82    47    53    57   3.62500 -1.0 2.0
   82    72    83    89   1.63200 -1.0 2.0
   82    88    93    94   0.08050  1.0 3.0
   82    88    93    95   0.08050  1.0 3.0
   82    88    93    96   0.08050  1.0 3.0
   83    72    82    47   3.62500 -1.0 2.0
   83    72    82    88   3.62500 -1.0 2.0
   73    65    72    82   3.62500 -1.0 2.0
   73    65    72    83   3.62500 -1.0 2.0
   66    56    65    72   3.62500 -1.0 2.0
   66    56    65    73   3.62500 -1.0 2.0
   57    53    56    65   3.62500 -1.0 2.0
   57    53    56    66   3.62500 -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
   41    59    38    33   4.00000 -1.0 2.0
   44    46    41    38   4.00000 -1.0 2.0
   48    45    44    41   1.10000 -1.0 2.0
   54    55    48    44   4.00000 -1.0 2.0
   59    60    54    48   4.00000 -1.0 2.0
   54    67    59    38   4.00000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   47    43    42    39  15.00000 -1.0 2.0
   53    82    47    42   4.00000 -1.0 2.0
   56    57    53    47   4.00000 -1.0 2.0
   65    66    56    53   4.00000 -1.0 2.0
   72    73    65    56   4.00000 -1.0 2.0
   82    83    72    65   4.00000 -1.0 2.0
   72    88    82    47   4.00000 -1.0 2.0
END
