* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    170    255     490
    1     0 S   NP   _N1_     1    28.85469    93.80358   -19.75031
    2     1 S   H    _HN1     2     1.02984    99.44707    44.27656
    3     1 S   H    _H1_     3     1.02828    26.96211   152.97550
    4     1 S   H    _H2_     4     1.02766    86.59515   -63.81401
    5     1 S   CT   _CA1     5     1.50296   135.98365   176.97140
    6     5 S   HC   _HA1     6     1.09581   105.06800    48.04379
    7     5 S   CO3  _C1_     7     1.53926   112.65905   -71.35727
    8     7 S   O2Z  _O11     8     1.26350   115.07909   -28.89105
    9     7 S   O2Z  _O12     9     1.26274   115.14638   150.28119
   10     5 S   CT   _CB1    10     1.53182   107.16860   165.70726
   11    10 S   HC   HB11    11     1.09807   109.16933   -49.51150
   12    10 S   HC   HB12    12     1.09809   110.19681    66.87350
   13    10 S   CT   _CG1    13     1.52982   113.09226  -170.85636
   14    13 S   HC   HG11    14     1.09436   109.88303   -65.62992
   15    13 S   HC   HG12    15     1.09619   110.30618    53.53367
   16    13 S   C    _CD1    16     1.51874   112.56608   173.80862
   17    16 S   O    _OE1    17     1.22725   123.17083   -14.03263
   18    16 S   N    _N2_    18     1.38677   111.71586   166.84021
   19    18 S   H    _HN2    19     1.01574   118.92539     1.55268
   20    18 S   CT1  _CA2    20     1.46386   123.62601  -176.97793
   21    20 S   HC   _HA2    21     1.09734   109.20307   -19.96661
   22    20 S   C    _C2_    22     1.53375   108.18222  -135.74005
   23    22 S   O    _O2_    23     1.22999   122.31814  -145.66723
   24    20 S   CT   _CB2    32     1.53647   111.38508   102.26576
   25    24 S   HC   HB21    33     1.09551   109.44413    54.54312
   26    24 S   HC   HB22    34     1.09490   110.89372   173.17527
   27    22 S   N    _N3_    24     1.38536   113.26664    41.67427
   28    27 S   H    _HN3    25     1.01538   118.90103    -0.42197
   29    24 S   S    _SG2    35     1.82740   111.27024   -67.46330
   30    27 S   CT   _CA3    26     1.45446   123.41360   175.19739
   31    30 S   HC   HA31    27     1.09525   109.19263    25.05282
   32    30 S   HC   HA32    28     1.09494   107.12538   142.04845
   33    29 S   CT   _C26    36     1.83813   100.30869   147.59486
   34    33 S   HC   _H3_    37     1.09537   107.56861   -32.25012
   35    30 S   CO3  _C3_    29     1.52931   113.17022   -98.39792
   36    35 S   O2Z  _O31    30     1.26399   115.43686   -43.78051
   37    35 S   O2Z  _O32    31     1.26360   114.96735   137.17106
   38    33 S   CT   _C22    38     1.52708   108.67746    84.88558
   39    38 S   HC   _H49    39     1.09525   112.33072    58.27693
   40    38 S   HC   _H50    40     1.09556   111.18736   -62.66133
   41    38 S   HC   _H51    41     1.09515   110.49796   178.32930
   42    33 S   CT   _C25    42     1.54630   112.41086  -150.08767
   43    42 S   HC   _H58    43     1.09957   108.12344  -178.52661
   44    42 S   CO4  _C16    44     1.52337   110.11427    65.44813
   45    44 S   O    _O27    45     1.22380   124.47323   -92.77657
   46    42 S   CT   _C21    90     1.53057   115.81214   -59.97228
   47    46 S   HC   _H46    91     1.09442   112.45578    61.87890
   48    46 S   HC   _H47    92     1.09398   111.33971   -59.92831
   49    46 S   HC   _H48    93     1.09630   110.21086  -179.07634
   50    44 S   OS   _O33    46     1.36486   109.67336    86.15994
   51    50 S   CT   _C17    47     1.43416   117.09890  -179.47066
   52    51 S   HC   _H38    48     1.09381   112.33463    28.12310
   53    51 S   CA   _C7_    49     1.48546   108.89462   -99.47554
   54    53 S   CA   _C8_    50     1.38599   109.35600   -98.07329
   55    54 S   CA   _C5_    51     1.38256   122.28881   176.64369
   56    55 S   HA   _H34    52     1.08439   121.18797  -179.42359
   57    54 S   OS   _O29    64     1.37148   113.34888    -3.06988
   58    55 S   CA   _C4_    53     1.39840   118.04388     1.32323
   59    58 S   HA   _H33    54     1.08759   118.99783   179.40686
   60    51 S   CT   _C18    65     1.55187   112.13581   153.01561
   61    60 S   HC   _H39    66     1.10216   107.88778  -160.60781
   62    58 S   CA   _C6_    55     1.40628   120.51215    -0.23155
   63    60 S   CT   _C27    67     1.55440   117.89111   -37.65825
   64    53 S   CA   _C9_    56     1.38155   131.08671    79.79305
   65    63 S   CT   _C23    68     1.53351   109.70693   -56.90923
   66    65 S   HC   _H52    69     1.09441   111.89775  -173.73609
   67    65 S   HC   _H53    70     1.09399   111.18701    67.69383
   68    65 S   HC   _H54    71     1.09498   111.22779   -53.68225
   69    63 S   CT   _C24    72     1.53906   108.81883  -178.22381
   70    69 S   HC   _H55    73     1.09441   111.84953   173.21817
   71    69 S   HC   _H56    74     1.09555   111.19414   -67.97509
   72    69 S   HC   _H57    75     1.09533   111.30857    53.36170
   73    63 S   OS   _O30    76     1.45497   106.95176    63.28159
   74    64 S   OS   _O28    57     1.40362   119.06711     3.31358
   75    73 S   CO4  _C15    77     1.35674   122.34154   178.64059
   76    75 S   O    _O26    78     1.22040   126.97222     0.69858
   77    74 S   CO4  _C12    58     1.38933   121.54350   178.43477
   78    77 S   O    _O25    59     1.22622   122.14188  -178.71534
   79    75 S   CM   _C14    79     1.49026   108.58708  -178.24097
   80    77 S   CM   _C11    60     1.47461   116.80843     1.53570
   81    80 S   HC   _H36    61     1.08425   117.08354   179.16280
   82    79 S   CM   _C13    80     1.34565   120.85932  -150.16500
   83    82 S   HC   _H37    81     1.08939   117.76186  -177.12050
   84    79 S   CT   _C20    86     1.50244   117.45108    32.47159
   85    84 S   HC   _H43    87     1.09502   110.62079   -70.82910
   86    84 S   HC   _H44    88     1.09520   110.50731    49.54461
   87    84 S   HC   _H45    89     1.09527   112.02469   169.17213
   88    62 S   CM   _C10    62     1.45404   121.85564   179.39802
   89    88 S   HC   _H35    63     1.08435   119.07131     0.35882
   90    82 S   CT   _C19    82     1.49571   128.42925     5.03478
   91    90 S   HC   _H40    83     1.09374   110.24001  -100.03463
   92    90 S   HC   _H41    84     1.09522   109.29738   141.43251
   93    90 S   HC   _H42    85     1.09278   113.15869    22.80688
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  14   7  13  11   8   4   8   7   3  13   4   7  12   6
   9   4   3   2   5   3   2   1   5   5   9   3   5   3  10   3
   2   9   5   4   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    60    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    64    57    60    61    63  
   52    53    54    55    62    64    74    57    60    61    63    65    69    73  
   53    54    64    57    60    61    63  
   54    55    56    58    62    64    74    77    88    57    60    61    63  
   55    56    58    59    62    64    74    57    60    61    63  
   56    58    59    62    64    88    57    60  
   58    59    62    57  
   60    61    63    65    69    73    58    64  
   59    62    64    74    80    88    89  
   62    64    88  
   61    63    65    66    67    68    69    70    71    72    73    75    64  
   63    65    69    73  
   64    74    77    80    81    88    89  
   65    66    67    68    69    70    71    72    73    75    76    79  
   74    77    78    80    88    89  
   66    67    68    69    70    71    72    73    75  
   67    68    69    73  
   68    69    73  
   69    73  
   70    71    72    73    75  
   71    72    73  
   72    73  
   73  
   75    76    79    82    84  
   77    78    80    81    88  
   76    79    82    83    90    84    85    86    87  
   79    82    84  
   78    80    81    88    89  
   80    81    88  
   82    83    90    91    92    93    84    85    86    87  
   81    88    89  
   88    89  
   83    90    91    92    93    84    85    86    87  
   90    91    92    93    84  
   85    86    87    90  
   86    87  
   87  
    0  
   89  
    0  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   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    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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    60   268.000  1.529
   53    54   469.000  1.400
   53    64   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    64   469.000  1.400
   62    88   320.000  1.460
   64    74   450.000  1.364
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    80   320.000  1.462
   80    81   340.000  1.080
   80    88   549.000  1.340
   88    89   340.000  1.080
   57    60   320.000  1.410
   60    61   340.000  1.090
   60    63   268.000  1.529
   63    65   268.000  1.529
   63    69   268.000  1.529
   63    73   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   320.000  1.462
   79    82   549.000  1.340
   79    84   317.000  1.510
   82    83   340.000  1.080
   82    90   317.000  1.510
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    60    50.00000  109.50000
   51    53    54    70.00000  120.00000
   51    53    64    70.00000  120.00000
   51    60    57    50.00000  109.50000
   51    60    61    37.50000  110.70000
   51    60    63    58.35000  112.70000
   53    51    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    57    70.00000  120.00000
   53    64    62    63.00000  120.00000
   53    64    74    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   55    58    62    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    62    64    63.00000  120.00000
   58    62    88    60.00000  120.93500
   62    58    59    35.00000  120.00000
   62    64    74    70.00000  120.00000
   62    88    80    60.00000  123.20500
   62    88    89    40.00000  117.26300
   64    53    54    63.00000  120.00000
   64    74    77    85.00000  115.98000
   74    77    78    83.00000  123.40000
   74    77    80    90.00000  111.29400
   77    80    81    40.00000  117.72500
   77    80    88    65.00000  118.96000
   80    77    78    80.00000  123.72100
   80    88    89    35.00000  120.00000
   88    62    64    60.00000  120.93500
   88    80    81    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    63    50.00000  109.50000
   60    51    52    37.50000  110.70000
   60    51    53    70.00000  112.17500
   60    63    65    58.35000  112.70000
   60    63    69    58.35000  112.70000
   60    63    73    50.00000  109.50000
   63    60    61    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    68    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    37.50000  110.70000
   63    73    75    83.00000  116.90000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    63    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    63    65    50.00000  109.50000
   73    63    69    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    90.00000  111.29400
   75    79    82    65.00000  118.96000
   75    79    84    65.00000  116.34900
   79    75    76    80.00000  123.72100
   79    82    83    35.00000  120.00000
   79    82    90    70.00000  124.00000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   82    90    91    35.00000  109.50000
   82    90    92    35.00000  109.50000
   82    90    93    35.00000  109.50000
   90    82    83    35.00000  117.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   84    79    82    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    60  -0.25900  1.0 1.0
   44    50    51    60  -0.47000 -1.0 2.0
   44    50    51    60   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.64500  1.0 1.0
   50    51    53    54   0.14800 -1.0 2.0
   50    51    53    54   0.20650  1.0 3.0
   50    51    53    64   0.64500  1.0 1.0
   50    51    53    64   0.14800 -1.0 2.0
   50    51    53    64   0.20650  1.0 3.0
   50    51    60    57   1.11900  1.0 1.0
   50    51    60    57  -1.16350 -1.0 2.0
   50    51    60    57  -0.34150  1.0 3.0
   50    51    60    61   0.23400  1.0 3.0
   50    51    60    63   0.62750  1.0 1.0
   50    51    60    63  -0.30950 -1.0 2.0
   50    51    60    63   0.27300  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53   -54    57   3.62500 -1.0 2.0
   51    53    64    62   3.62500 -1.0 2.0
   51    53    64    74   3.62500 -1.0 2.0
   51    60    63    65   0.56750  1.0 1.0
   51    60    63    65  -0.07550 -1.0 2.0
   51    60    63    65   0.20000  1.0 3.0
   51    60    63    69   0.56750  1.0 1.0
   51    60    63    69  -0.07550 -1.0 2.0
   51    60    63    69   0.20000  1.0 3.0
   51    60    63    73   0.62750  1.0 1.0
   51    60    63    73  -0.30950 -1.0 2.0
   51    60    63    73   0.27300  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    64   0.00000  1.0 1.0
   52    51    60    57   0.23400  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   53    51   -60    57  -0.64350  1.0 1.0
   53    51   -60    57  -0.04200 -1.0 2.0
   53    51   -60    57   0.19800  1.0 3.0
   53    51    60    61   0.43200  1.0 3.0
   53    51    60    63  -0.03700  1.0 1.0
   53    51    60    63   0.37200 -1.0 2.0
   53    51    60    63  -0.47300  1.0 3.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54   -57    60   1.63200 -1.0 2.0
   53    64    74    77   0.01300  1.0 1.0
   53    64    74    77   0.97950 -1.0 2.0
   53    64    74    77  -0.55700  1.0 3.0
   54    53    64    62   3.62500 -1.0 2.0
   54    53    64    74   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    55   -58    62   3.62500 -1.0 2.0
   54    57   -60    51  -0.32850  1.0 1.0
   54    57   -60    51  -0.35800 -1.0 2.0
   54    57   -60    51   0.33950  1.0 3.0
   54    57    60    61   0.08050  1.0 3.0
   54    57    60    63  -0.32850  1.0 1.0
   54    57    60    63  -0.35800 -1.0 2.0
   54    57    60    63   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   55    58    62    64   3.62500 -1.0 2.0
   55    58    62    88   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62   -64    53   3.62500 -1.0 2.0
   58    62    64    74   3.62500 -1.0 2.0
   58    62    88    80   0.15800  1.0 1.0
   58    62    88    80   1.85350 -1.0 2.0
   58    62    88    80  -0.48700  1.0 3.0
   58    62    88    89   0.56550  1.0 3.0
   59    58    62    64   3.62500 -1.0 2.0
   59    58    62    88   3.62500 -1.0 2.0
   62    64    74    77   0.01300  1.0 1.0
   62    64    74    77   0.97950 -1.0 2.0
   62    64    74    77  -0.55700  1.0 3.0
   64    53   -54    55   3.62500 -1.0 2.0
   64    53    54    57   3.62500 -1.0 2.0
   64    62    88    80   0.15800  1.0 1.0
   64    62    88    80   1.85350 -1.0 2.0
   64    62    88    80  -0.48700  1.0 3.0
   64    62    88    89   0.56550  1.0 3.0
   64    74    77    78   3.00000 -1.0 2.0
   64    74   -77    80   2.00000 -1.0 2.0
   74    77    80    81   1.63100 -1.0 2.0
   74    77    80    88  -0.56150  1.0 1.0
   74    77    80    88   2.19150 -1.0 2.0
   77    80   -88    62   7.00000 -1.0 2.0
   77    80    88    89   7.00000 -1.0 2.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    88   1.00000 -1.0 2.0
   81    80    88    62   7.00000 -1.0 2.0
   81    80    88    89   7.00000 -1.0 2.0
   88    62    64    53   3.62500 -1.0 2.0
   88    62   -64    74   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60    63    65   0.62750  1.0 1.0
   57    60    63    65  -0.30950 -1.0 2.0
   57    60    63    65   0.27300  1.0 3.0
   57    60    63    69   0.62750  1.0 1.0
   57    60    63    69  -0.30950 -1.0 2.0
   57    60    63    69   0.27300  1.0 3.0
   57    60    63    73   1.11900  1.0 1.0
   57    60    63    73  -1.16350 -1.0 2.0
   57    60    63    73  -0.34150  1.0 3.0
   60    51   -53    54   0.04150 -1.0 2.0
   60    51    53    64   0.04150 -1.0 2.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.15000  1.0 3.0
   60    63    65    68   0.15000  1.0 3.0
   60    63    69    70   0.15000  1.0 3.0
   60    63    69    71   0.15000  1.0 3.0
   60    63    69    72   0.15000  1.0 3.0
   60    63    73    75  -0.25900  1.0 1.0
   60    63    73    75  -0.47000 -1.0 2.0
   60    63    73    75   0.11750  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    69   0.15000  1.0 3.0
   61    60    63    73   0.23400  1.0 3.0
   63    73    75    76   3.00000 -1.0 2.0
   63    73    75    79   2.00000 -1.0 2.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    72   0.15000  1.0 3.0
   65    63    73    75  -0.25900  1.0 1.0
   65    63    73    75  -0.47000 -1.0 2.0
   65    63    73    75   0.11750  1.0 3.0
   69    63    65    66   0.15000  1.0 3.0
   69    63    65    67   0.15000  1.0 3.0
   69    63    65    68   0.15000  1.0 3.0
   69    63    73    75  -0.25900  1.0 1.0
   69    63    73    75  -0.47000 -1.0 2.0
   69    63    73    75   0.11750  1.0 3.0
   73    63    65    66   0.23400  1.0 3.0
   73    63    65    67   0.23400  1.0 3.0
   73    63    65    68   0.23400  1.0 3.0
   73    63    69    70   0.23400  1.0 3.0
   73    63    69    71   0.23400  1.0 3.0
   73    63    69    72   0.23400  1.0 3.0
   73    75    79    82  -0.56150  1.0 1.0
   73    75    79    82   2.19150 -1.0 2.0
   73    75    79    84  -0.15000  1.0 1.0
   73    75    79    84   0.89550 -1.0 2.0
   73    75    79    84  -0.06900  1.0 3.0
   75    79    82    83   7.00000 -1.0 2.0
   75    79    82    90   7.00000 -1.0 2.0
   75    79    84    85   0.15000  1.0 3.0
   75    79    84    86   0.15000  1.0 3.0
   75    79    84    87   0.15000  1.0 3.0
   76    75    79    82   1.00000 -1.0 2.0
   76    75    79    84  -0.64400  1.0 1.0
   76    75    79    84   0.26850 -1.0 2.0
   79    82    90    91   0.00000  1.0 1.0
   79    82    90    92   0.00000  1.0 1.0
   79    82    90    93   0.00000  1.0 1.0
   82    79    84    85   0.00000  1.0 1.0
   82    79    84    86   0.00000  1.0 1.0
   82    79    84    87   0.00000  1.0 1.0
   83    82    90    91   0.33100  1.0 3.0
   83    82    90    92   0.33100  1.0 3.0
   83    82    90    93   0.33100  1.0 3.0
   84    79    82    83   7.00000 -1.0 2.0
   84    79    82    90   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   54    64    53    51   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   64    88    62    58   4.00000 -1.0 2.0
   62    74    64    53   4.00000 -1.0 2.0
   74    80    77    78  10.50000 -1.0 2.0
   77    81    80    88   1.10000 -1.0 2.0
   62    89    88    80   1.10000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
   75    84    79    82  15.00000 -1.0 2.0
   90    83    82    79  15.00000 -1.0 2.0
END
