* LIGAND DATABASE FILE (OPLS2005)
*
001      97   102    201    338     610
    1     0 S   NP   _N1_     1    30.77280    99.62139   -15.90452
    2     1 S   H    _HN1     2     1.02788    43.68273   -81.34302
    3     1 S   H    _H1_     3     1.02952    87.34125    38.93989
    4     1 S   H    _H2_     4     1.02834    78.50880   146.92955
    5     1 S   CT   _CA1     5     1.50146   155.13945   -98.14991
    6     5 S   HC   _HA1     6     1.09558   105.23486   -48.80874
    7     5 S   CO3  _C1_     7     1.53937   112.36381  -169.13220
    8     7 S   O2Z  _O11     8     1.26403   115.10660   -40.62945
    9     7 S   O2Z  _O12     9     1.26250   115.17007   138.76468
   10     5 S   CT   _CB1    10     1.53180   107.41333    69.37145
   11    10 S   HC   HB11    11     1.09812   109.74962   -46.29872
   12    10 S   HC   HB12    12     1.09826   110.27138    70.43513
   13    10 S   CT   _CG1    13     1.52970   112.54548  -167.27510
   14    13 S   HC   HG11    14     1.09408   110.36269   -56.57846
   15    13 S   HC   HG12    15     1.09629   110.14250    62.28657
   16    13 S   C    _CD1    16     1.51834   112.23051  -177.58338
   17    16 S   O    _OE1    17     1.22730   123.12137   -17.45735
   18    16 S   N    _N2_    18     1.38543   111.66703   163.60911
   19    18 S   H    _HN2    19     1.01581   118.89896     0.83860
   20    18 S   CT1  _CA2    20     1.46298   123.75901  -178.60675
   21    20 S   HC   _HA2    21     1.09737   109.36936   -16.88282
   22    20 S   C    _C2_    22     1.53414   108.04219  -132.38669
   23    22 S   O    _O2_    23     1.23014   122.54947  -146.98665
   24    20 S   CT   _CB2    32     1.53674   111.07973   105.59536
   25    24 S   HC   HB21    33     1.09171   108.76848    51.29573
   26    24 S   HC   HB22    34     1.09463   110.27039   169.82260
   27    22 S   N    _N3_    24     1.38430   113.34935    40.56086
   28    27 S   H    _HN3    25     1.01661   119.48579    -3.63249
   29    24 S   S    _SG2    35     1.82767   110.89125   -71.92071
   30    27 S   CT   _CA3    26     1.45290   123.02429   176.87676
   31    30 S   HC   HA31    27     1.09555   107.53422   -63.10856
   32    30 S   HC   HA32    28     1.09560   107.91187    53.26168
   33    29 S   CT   _C17    36     1.89533   104.77886   149.91551
   34    30 S   CO3  _C3_    29     1.52909   114.21948   175.22751
   35    34 S   O2Z  _O31    30     1.26351   116.08024    -1.30056
   36    34 S   O2Z  _O32    31     1.26438   114.40281   178.75369
   37    33 S   CT   _C8_    37     1.59423   108.25036   178.62513
   38    37 S   HC   _H3_    38     1.10030   107.93945    47.09630
   39    33 S   CT   _C16    84     1.55643   111.26754    59.30955
   40    39 S   HC   _H6_    85     1.09040   106.79752  -174.47760
   41    37 S   CT   _C7_    39     1.55057   110.49238   161.78404
   42    41 S   HC   _H14    40     1.09567   109.53460  -173.24039
   43    41 S   HC   _H15    41     1.09466   110.86484    69.63754
   44    37 S   CT   _C9_    68     1.58532   114.84177   -72.50599
   45    39 S   OH   _O34    86     1.42352   112.70558   -60.66029
   46    45 S   HO   _H29    87     0.97243   108.34367   179.82983
   47    41 S   CT   _C6_    42     1.52356   113.83541   -55.35107
   48    47 S   HC   _H12    43     1.09555   108.21738  -178.22833
   49    47 S   HC   _H13    44     1.09748   107.51551   -64.27303
   50    44 S   CT   _C10    69     1.56573   114.86377  -165.13262
   51    50 S   HC   _H16    70     1.09552   112.19941    59.07065
   52    50 S   HC   _H17    71     1.09715   110.32426   -59.99955
   53    47 S   CT   _C5_    45     1.53696   113.77103    58.65911
   54    50 S   CT   _C11    72     1.54194   109.78165   178.61379
   55    54 S   HC   _H18    73     1.09768   109.01764   128.54858
   56    54 S   HC   _H19    74     1.09624   110.82215  -115.40032
   57    53 S   CT   _C20    46     1.55495   112.40310  -159.92253
   58    57 S   HC   _H8_    47     1.09823   110.62119  -162.91046
   59    53 S   CT   _C4_    64     1.53832   111.83574    74.16768
   60    59 S   HC   _H9_    65     1.09575   111.14964  -164.71981
   61    59 S   HC   _H10    66     1.09009   112.74307    75.63668
   62    59 S   HC   _H11    67     1.09109   112.76300   -43.46478
   63    54 S   CO   _C12    75     1.53965   109.87552     7.59218
   64    57 S   CT   _C19    48     1.52648   102.48397    80.14011
   65    64 S   HC   _H20    49     1.09375   111.21906   137.91188
   66    64 S   HC   _H21    50     1.09386   113.38672   -99.23491
   67    57 S   NP   _N4_    54     1.52599   117.35182   -40.39715
   68    67 S   H    _H22    55     1.02868   107.95814    57.81847
   69    63 S   CT   _C13    76     1.55433   111.01952   -62.33920
   70    63 S   OS   _O37    92     1.42904   104.50010    57.27393
   71    63 S   OH   _O38    96     1.42046   108.40184   174.28780
   72    71 S   HO   _H35    97     0.97253   107.22130   170.53425
   73    64 S   OS   _O33    51     1.42556   107.69811    18.62430
   74    67 S   CT   _C21    56     1.52004   111.89751   174.07712
   75    74 S   HC   _H23    57     1.09320   108.38491    59.90390
   76    74 S   HC   _H24    58     1.09361   108.21564  -179.58978
   77    74 S   HC   _H25    59     1.09089   109.05842   -61.46421
   78    67 S   CT   _C22    60     1.50601   115.16781   -61.37376
   79    78 S   HC   _H26    61     1.09288   108.68282   -52.76572
   80    78 S   HC   _H27    62     1.08959   108.79325    69.63007
   81    78 S   HC   _H28    63     1.09400   108.50597  -173.06031
   82    69 S   CO4  _C23    77     1.52891   112.38113   156.27718
   83    82 S   O    _O36    78     1.22187   125.52928    54.27844
   84    69 S   CT   _C24    88     1.53317   113.67858   -79.70891
   85    84 S   HC   _H30    89     1.09462   111.42184    59.15687
   86    84 S   HC   _H31    90     1.09548   111.37415   -61.56691
   87    84 S   HC   _H32    91     1.09567   111.73779   179.55987
   88    44 S   CT   _C25    93     1.56093   111.54634    78.35550
   89    88 S   HC   _H33    94     1.08449   113.74430   -65.02752
   90    88 S   HC   _H34    95     1.09609   110.82804    55.67185
   91    33 S   CT   _C18    52     1.57639   105.81636   -62.65268
   92    91 S   HC   _H7_    53     1.09691   109.56188    73.20568
   93    82 S   OS   _O35    79     1.37856   110.23960  -124.73112
   94    93 S   CT   _C15    80     1.42346   108.08700   -14.11449
   95    94 S   HC   _H5_    81     1.09948   105.10548   -83.79240
   96    44 S   CT   _C14    82     1.55803   111.83174   -47.59145
   97    96 S   HC   _H4_    83     1.09894   108.55049   -76.38943
  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  13   5   4   3
  24   2   1   1  27  10  16   7  13   6   5  21   6   1  14   5
   4  15   7   6  16  11   5   4  21  10   8   3   2   1  17   9
   4   3  11   8  15   8   5   1   2   7   3   2   1   3   2   1
   1  10   4   7   3   2   1   5   2   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    91    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    53    73    91    92    44    94    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    47    53    57    64    73    91    92    59    44    50    93    94    95    96    39    40    45    46    88  
   35    36  
   36  
    0  
   38    41    42    43    47    48    49    53    73    91    92    44    50    51    52    54    69    94    96    97    39    40    45    70    88    89    90  
   41    42    43    47    91    44    50    96    39    88  
   40    45    46    41    44    53    69    73    82    91    92    93    94    95    96    97  
   45    46    91    93    94    95    96  
   42    43    47    48    49    53    57    91    59    44    50    96    88  
   43    47    48    49    53    44  
   47    48    49    53    44  
   50    51    52    54    55    56    63    69    82    93    94    95    96    97    84    70    88    89    90    47    91  
   46    91    93    94    95    96  
   94  
   48    49    53    57    58    64    73    91    92    67    59    60    61    62  
   49    53    57    91    59  
   53    57    91    59  
   51    52    54    55    56    63    69    94    96    97    70    88    89    90    71  
   52    54    55    56    63    96    88  
   54    55    56    63    96    88  
   57    58    64    65    66    73    91    92    67    68    74    78    59    60    61    62  
   55    56    63    69    82    96    84    70    88    71    72  
   56    63    69    70    71  
   63    69    70    71  
   58    64    65    66    73    91    92    67    68    74    75    76    77    78    79    80    81    59    60    61    62  
   64    65    66    73    91    67    68    74    78    59  
   60    61    62    64    67    73    91    92  
   61    62    91  
   62    91  
   91  
   69    82    83    93    94    96    97    84    85    86    87    70    88    89    90    71    72  
   65    66    73    91    92    67    68    74    78  
   66    73    91    67  
   73    91    67  
   68    74    75    76    77    78    79    80    81    73    91  
   74    75    76    77    78    79    80    81  
   82    83    93    94    95    96    97    84    85    86    87    70    88    71    72  
   88    89    90    71    72    82    84    96  
   72    82    84    88    96  
    0  
   91    92  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    93    94    95    96    97    84    85    86    87  
   93    94    96    84  
   85    86    87    93    94    96    97  
   86    87    96  
   87    96  
   96  
   89    90    94    96    97  
   90    96  
   96  
   92    94  
    0  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   68   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    91   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    57   268.000  1.529
   53    91   268.000  1.529
   53    59   268.000  1.529
   57    58   340.000  1.090
   57    64   268.000  1.529
   57    67   367.000  1.471
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   320.000  1.410
   73    91   320.000  1.410
   91    92   340.000  1.090
   67    68   434.000  1.010
   67    74   367.000  1.471
   67    78   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   44    50   268.000  1.529
   44    96   268.000  1.529
   44    88   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   250.000  1.527
   63    69   250.000  1.527
   63    70   320.000  1.380
   63    71   380.000  1.407
   69    82   317.000  1.522
   69    96   268.000  1.529
   69    84   268.000  1.529
   82    83   570.000  1.229
   82    93   214.000  1.327
   93    94   320.000  1.410
   94    95   340.000  1.090
   94    96   268.000  1.529
   94    39   268.000  1.529
   96    97   340.000  1.090
   39    40   340.000  1.090
   39    45   320.000  1.410
   45    46   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   71    72   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    91    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    91    53    58.35000  112.70000
   33    91    73    50.00000  109.50000
   33    91    92    37.50000  110.70000
   33    39    94    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    47    58.35000  112.70000
   37    44    50    58.35000  112.70000
   37    44    96    58.35000  112.70000
   37    44    88    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    53    58.35000  112.70000
   43    41    42    33.00000  107.80000
   47    41    42    37.50000  110.70000
   47    41    43    37.50000  110.70000
   47    53    57    58.35000  112.70000
   47    53    91    58.35000  112.70000
   47    53    59    58.35000  112.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    64    58.35000  112.70000
   53    57    67    80.00000  111.20000
   53    91    73    50.00000  109.50000
   53    91    92    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    73    50.00000  109.50000
   57    67    68    35.00000  109.50000
   57    67    74    75.00000  113.01200
   57    67    78    75.00000  113.01200
   64    57    58    37.50000  110.70000
   64    73    91    60.00000  109.50000
   66    64    65    33.00000  107.80000
   73    64    65    35.00000  109.50000
   73    64    66    35.00000  109.50000
   73    91    92    35.00000  109.50000
   91    33    37    58.35000  112.70000
   91    53    57    58.35000  112.70000
   67    57    58    35.00000  109.50000
   67    57    64    80.00000  111.20000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   67    78    79    35.00000  109.50000
   67    78    80    35.00000  109.50000
   67    78    81    35.00000  109.50000
   74    67    68    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
   78    67    68    35.00000  109.50000
   78    67    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    53    57    58.35000  112.70000
   59    53    91    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    54    58.35000  112.70000
   44    96    69    58.35000  112.70000
   44    96    94    58.35000  112.70000
   44    96    97    37.50000  110.70000
   44    88    70    50.00000  109.50000
   44    88    89    37.50000  110.70000
   44    88    90    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    75.00000  109.43000
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    63    69    65.00000  112.71400
   54    63    70    90.00000  108.56700
   54    63    71    90.00000  110.19100
   56    54    55    33.00000  107.80000
   63    54    55    45.00000  108.72000
   63    54    56    45.00000  108.72000
   63    69    82    63.00000  111.10000
   63    69    96    75.00000  109.43000
   63    69    84    75.00000  109.43000
   63    70    88    60.00000  109.50000
   63    71    72    70.00000  107.92000
   69    82    83    80.00000  120.40000
   69    82    93    81.00000  111.40000
   69    96    94    58.35000  112.70000
   69    96    97    37.50000  110.70000
   69    84    85    37.50000  110.70000
   69    84    86    37.50000  110.70000
   69    84    87    37.50000  110.70000
   82    93    94    83.00000  116.90000
   93    82    83    83.00000  123.40000
   93    94    95    35.00000  109.50000
   93    94    96    50.00000  109.50000
   93    94    39    50.00000  109.50000
   94    96    97    37.50000  110.70000
   94    39    40    37.50000  110.70000
   94    39    45    50.00000  109.50000
   96    44    50    58.35000  112.70000
   96    69    82    63.00000  111.10000
   96    94    95    37.50000  110.70000
   39    33    37    58.35000  112.70000
   39    33    91    58.35000  112.70000
   39    94    95    37.50000  110.70000
   39    94    96    58.35000  112.70000
   39    45    46    55.00000  108.50000
   45    39    40    35.00000  109.50000
   84    69    82    63.00000  111.10000
   84    69    96    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    63    69    90.00000  108.56700
   70    88    89    35.00000  109.50000
   70    88    90    35.00000  109.50000
   88    44    50    58.35000  112.70000
   88    44    96    58.35000  112.70000
   90    88    89    33.00000  107.80000
   71    63    69    90.00000  110.19100
   71    63    70   110.00000  112.08000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    91   0.01700  1.0 1.0
   24    29    33    91  -0.23550 -1.0 2.0
   24    29    33    91   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
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   96    94   -39    33   0.20000  1.0 3.0
   96    94    39    40   0.15000  1.0 3.0
   96    94    39    45   0.86500  1.0 1.0
   96    94    39    45  -0.17500 -1.0 2.0
   96    94    39    45   0.20800  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.56750  1.0 1.0
   39    33    37    41  -0.07550 -1.0 2.0
   39    33    37    41   0.20000  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    91    53   0.56750  1.0 1.0
   39    33    91    53  -0.07550 -1.0 2.0
   39    33    91    53   0.20000  1.0 3.0
   39    33    91    73   0.62750  1.0 1.0
   39    33    91    73  -0.30950 -1.0 2.0
   39    33    91    73   0.27300  1.0 3.0
   39    33    91    92   0.15000  1.0 3.0
   39    94   -96    44   0.56750  1.0 1.0
   39    94   -96    44  -0.07550 -1.0 2.0
   39    94   -96    44   0.20000  1.0 3.0
   39    94    96    69   0.56750  1.0 1.0
   39    94    96    69  -0.07550 -1.0 2.0
   39    94    96    69   0.20000  1.0 3.0
   39    94    96    97   0.15000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   84    69    82    83   0.30150 -1.0 2.0
   84    69    82    93   0.36750  1.0 3.0
   84    69    96    44   0.56750  1.0 1.0
   84    69    96    44  -0.07550 -1.0 2.0
   84    69    96    44   0.20000  1.0 3.0
   84    69    96    94   0.56750  1.0 1.0
   84    69    96    94  -0.07550 -1.0 2.0
   84    69    96    94   0.20000  1.0 3.0
   84    69    96    97   0.15000  1.0 3.0
   70    63    69    82  -0.09450  1.0 1.0
   70    63    69    82  -1.12950 -1.0 2.0
   70    63    69    82   0.54000  1.0 3.0
   70    63   -69    96   0.62750  1.0 1.0
   70    63   -69    96  -0.30950 -1.0 2.0
   70    63   -69    96   0.27300  1.0 3.0
   70    63    69    84   0.62750  1.0 1.0
   70    63    69    84  -0.30950 -1.0 2.0
   70    63    69    84   0.27300  1.0 3.0
   70    63    71    72  -0.50000  1.0 1.0
   70    63    71    72  -0.73950 -1.0 2.0
   70    63    71    72   0.17150  1.0 3.0
   88    44    50    51   0.15000  1.0 3.0
   88    44    50    52   0.15000  1.0 3.0
   88    44   -50    54   0.56750  1.0 1.0
   88    44   -50    54  -0.07550 -1.0 2.0
   88    44   -50    54   0.20000  1.0 3.0
   88    44   -96    69   0.56750  1.0 1.0
   88    44   -96    69  -0.07550 -1.0 2.0
   88    44   -96    69   0.20000  1.0 3.0
   88    44    96    94   0.56750  1.0 1.0
   88    44    96    94  -0.07550 -1.0 2.0
   88    44    96    94   0.20000  1.0 3.0
   88    44    96    97   0.15000  1.0 3.0
   71    63    69    82  -0.09450  1.0 1.0
   71    63    69    82  -1.12950 -1.0 2.0
   71    63    69    82   0.54000  1.0 3.0
   71    63    69    96   0.86500  1.0 1.0
   71    63    69    96  -0.17500 -1.0 2.0
   71    63    69    96   0.20800  1.0 3.0
   71    63    69    84   0.86500  1.0 1.0
   71    63    69    84  -0.17500 -1.0 2.0
   71    63    69    84   0.20800  1.0 3.0
   71    63    70    88  -0.81800  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   69    93    82    83  10.50000 -1.0 2.0
END
