* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    155    239     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120    33.87806   147.39290
    3     1 S   H    _H1_     3     1.02122    84.78927   -77.16139
    4     1 S   H    _H2_     4     1.02080    95.21787    31.19959
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CM   _C17    36     1.73610    98.79653   161.79256
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C16    37     1.34794   119.47913  -120.02449
   38    37 S   HC   _H38    38     1.08879   118.61798   179.96044
   39    33 S   CT   _C26    82     1.50166   115.60180    59.99091
   40    39 S   F    _F26    83     1.35990   111.62265    -0.00000
   41    39 S   F    _F27    84     1.36010   111.63326  -119.23833
   42    39 S   F    _F28    85     1.35723   114.09624   120.36514
   43    37 S   C3T  _C19    39     1.47663   128.14666     0.00000
   44    43 S   HC   _H39    40     1.08621   113.14320   -59.99415
   45    43 S   C3T  _C20    41     1.50089   118.63421    83.46160
   46    45 S   HC   _H40    42     1.08599   117.54080  -142.57146
   47    43 S   C3T  _C21    43     1.50012   120.48304   153.62078
   48    45 S   CO4  _C18    52     1.47431   118.65813     0.07913
   49    48 S   O    _O24    53     1.22309   124.10516     5.85712
   50    47 S   CT   _C23    44     1.49134   117.38682   142.86397
   51    50 S   HC   _H44    45     1.10151   111.57089  -180.00000
   52    50 S   HC   _H45    46     1.10178   111.51659    60.06778
   53    50 S   HC   _H46    47     1.10073   111.61462   -59.98255
   54    47 S   CT   _C24    48     1.49275   119.77613    -1.25336
   55    54 S   HC   _H47    49     1.10162   111.52451   179.97202
   56    54 S   HC   _H48    50     1.10082   111.53386    60.05560
   57    54 S   HC   _H49    51     1.10094   111.53444   -60.00559
   58    48 S   OS   _O25    54     1.36362   109.50080  -174.15343
   59    58 S   CT   _C25    55     1.43100   115.46255   179.96574
   60    59 S   HC   _H50    56     1.09562   108.98012    58.71802
   61    59 S   HC   _H51    57     1.09506   109.16774   -58.89908
   62    59 S   CA   _C14    58     1.49998   109.06225  -180.00000
   63    62 S   CA   _C11    59     1.39531   118.88405   104.89719
   64    63 S   HA   _H37    60     1.08628   120.51456     0.25488
   65    63 S   CA   _C7_    61     1.39446   119.99393  -179.97202
   66    65 S   HA   _H33    62     1.08600   119.96277  -179.87180
   67    65 S   CA   _C10    63     1.39507   120.04795     0.05935
   68    67 S   HA   _H36    64     1.08763   119.06804   179.94065
   69    67 S   CA   _C13    65     1.39440   119.97326    -0.04846
   70    69 S   CA   _C12    66     1.45010   118.83156   179.94766
   71    62 S   CA   _C15    77     1.39507   121.15776   -75.00765
   72    70 S   CA   _C8_    67     1.39432   120.02462   -89.96228
   73    72 S   HA   _H34    68     1.08697   120.85665     0.00000
   74    71 S   CT   _C22    78     1.49804   119.42204    -0.11364
   75    74 S   HC   _H41    79     1.09398   110.11317   -89.98684
   76    74 S   HC   _H42    80     1.09519   110.95335    30.56878
   77    74 S   HC   _H43    81     1.09610   110.92815   149.48187
   78    72 S   CA   _C5_    69     1.39524   119.99213   179.96044
   79    78 S   HA   _H31    70     1.08591   119.96993  -179.87333
   80    78 S   CA   _C4_    71     1.39486   119.97861     0.00000
   81    80 S   HA   _H30    72     1.08622   120.01845  -179.91153
   82    80 S   CA   _C6_    73     1.39530   120.03672    -0.00000
   83    82 S   HA   _H32    74     1.08606   120.04251  -179.92087
   84    70 S   CA   _C9_    75     1.39485   119.94617    90.00181
   85    84 S   HA   _H35    76     1.08798   120.87175     0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  10   2   1   1  13   5   4   2   1   1  15   6  14   6  11   8
   2   7   3   2   1   3   2   1   1   6   9   4   3  12   8   4
   6   3   7   3  12  11   6   8   4   3   2   1   1   6   3   5
   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    54    48    39    40    41    42  
   43    44    45    47    39  
   40    41    42    43  
   41    42  
   42  
    0  
   44    45    46    47    50    51    52    53    54    55    56    57    48    49    58  
   45    46    47    50    54    48  
   46    47    50    51    52    53    54    55    56    57    48    49    58    59  
   47    50    54    48    49    58  
   50    51    52    53    54    55    56    57    48    49    58  
   49    58    59    60    61    62    50    54  
   58    59  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    71  
   60    61    62    63    64    65    69    71    74  
   61    62    63    71  
   62    63    71  
   63    64    65    66    67    69    70    71    74    75    76    77  
   64    65    66    67    68    69    71    74  
   65    66    67    71  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    72    84    71    74  
   69    70    71  
   70    72    73    78    82    84    85    71    74    75    76    77  
   72    73    78    79    80    82    83    84    85    71    74  
   74    75    76    77    72    84  
   73    78    79    80    81    82    84    85  
   78    79    80    84  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81    82  
   81    82    83    84    85  
   82    83    84  
   83    84    85  
   84    85  
   85  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.2500   0.0620   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   41   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   42   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   240.000  1.763
   33    37   549.000  1.340
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    43   305.000  1.480
   43    44   340.000  1.088
   43    45   260.000  1.509
   43    47   260.000  1.509
   45    46   340.000  1.088
   45    47   260.000  1.509
   45    48   290.000  1.496
   47    50   275.000  1.510
   47    54   275.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   469.000  1.400
   62    71   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   375.000  1.464
   69    71   469.000  1.400
   70    72   469.000  1.400
   70    84   469.000  1.400
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   71    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   39    40   367.000  1.332
   39    41   367.000  1.332
   39    42   367.000  1.332
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    39    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    43    55.00000  125.06700
   33    39    40    85.00000  110.69400
   33    39    41    85.00000  110.69400
   33    39    42    85.00000  110.69400
   37    43    44    40.00000  112.45000
   37    43    45    60.00000  120.58800
   37    43    47    60.00000  120.58800
   43    37    38    40.00000  117.24000
   43    45    46    37.50000  117.20000
   43    45    47    10.00000   60.00500
   43    45    48    65.00000  117.18000
   43    47    45    10.00000   60.00500
   43    47    50    60.00000  120.94000
   43    47    54    60.00000  120.94000
   45    43    44    37.50000  117.20000
   45    47    50    60.00000  120.94000
   45    47    54    60.00000  120.94000
   45    48    49    75.00000  121.36600
   45    48    58    81.00000  111.40000
   47    43    44    37.50000  117.20000
   47    43    45    10.00000   60.00500
   47    45    46    37.50000  117.20000
   47    50    51    45.00000  109.38400
   47    50    52    45.00000  109.38400
   47    50    53    45.00000  109.38400
   47    54    55    45.00000  109.38400
   47    54    56    45.00000  109.38400
   47    54    57    45.00000  109.38400
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    47    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    45    46    40.00000  116.18000
   48    45    47    65.00000  117.18000
   48    58    59    83.00000  116.90000
   58    48    49    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    85.00000  111.85700
   59    62    63    70.00000  120.00000
   59    62    71    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    71    69    63.00000  120.00000
   62    71    74    70.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    60.00000  122.76000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    72    60.00000  122.76000
   69    70    84    60.00000  122.76000
   69    71    74    70.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    78    63.00000  120.00000
   70    84    82    63.00000  120.00000
   70    84    85    35.00000  120.00000
   72    78    79    35.00000  120.00000
   72    78    80    63.00000  120.00000
   78    72    73    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    35.00000  120.00000
   84    70    72    63.00000  120.00000
   84    82    83    35.00000  120.00000
   71    62    63    63.00000  120.00000
   71    69    70    60.00000  122.76000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    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
   39    33    37    70.00000  124.00000
   41    39    40    77.00000  109.10000
   42    39    40    77.00000  109.10000
   42    39    41    77.00000  109.10000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    39   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    43   7.00000 -1.0 2.0
   29    33    39    40   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   33    37    43    44   0.00000  1.0 1.0
   33    37    43    45   0.09850  1.0 1.0
   33    37    43    45   0.15250 -1.0 2.0
   33    37    43    45  -0.50650  1.0 3.0
   33    37    43    47   0.09850  1.0 1.0
   33    37    43    47   0.15250 -1.0 2.0
   33    37    43    47  -0.50650  1.0 3.0
   37    33    39    40   0.24700  1.0 1.0
   37    33    39    40   0.40650 -1.0 2.0
   37    33    39    40  -0.40300  1.0 3.0
   37    33    39    41   0.24700  1.0 1.0
   37    33    39    41   0.40650 -1.0 2.0
   37    33    39    41  -0.40300  1.0 3.0
   37    33    39    42   0.24700  1.0 1.0
   37    33    39    42   0.40650 -1.0 2.0
   37    33    39    42  -0.40300  1.0 3.0
   37    43    45    46   0.15000  1.0 3.0
   37    43   -45    47   0.34400  1.0 1.0
   37    43   -45    47   0.09450 -1.0 2.0
   37    43   -45    47   0.11100  1.0 3.0
   37    43    45    48  -0.98800  1.0 1.0
   37    43    45    48   0.48800 -1.0 2.0
   37    43    45    48   0.76800  1.0 3.0
   37    43   -47    45   0.34400  1.0 1.0
   37    43   -47    45   0.09450 -1.0 2.0
   37    43   -47    45   0.11100  1.0 3.0
   37    43    47    50   0.34400  1.0 1.0
   37    43    47    50   0.09450 -1.0 2.0
   37    43    47    50   0.11100  1.0 3.0
   37    43    47    54   0.34400  1.0 1.0
   37    43    47    54   0.09450 -1.0 2.0
   37    43    47    54   0.11100  1.0 3.0
   38    37    43    44   0.33100  1.0 3.0
   38    37    43    45   0.00000  1.0 1.0
   38    37    43    47   0.00000  1.0 1.0
   43    45   -47    50   0.07850  1.0 1.0
   43    45   -47    50  -0.03950 -1.0 2.0
   43    45   -47    50   0.67350  1.0 3.0
   43    45   -47    54   0.07850  1.0 1.0
   43    45   -47    54  -0.03950 -1.0 2.0
   43    45   -47    54   0.67350  1.0 3.0
   43    45    48    49   0.30150 -1.0 2.0
   43    45    48    58   0.36750  1.0 3.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    52   0.15000  1.0 3.0
   43    47    50    53   0.15000  1.0 3.0
   43    47    54    55   0.15000  1.0 3.0
   43    47    54    56   0.15000  1.0 3.0
   43    47    54    57   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43   -45    47   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43   -47    45   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    54   0.15000  1.0 3.0
   45    43   -47    50   0.07850  1.0 1.0
   45    43   -47    50  -0.03950 -1.0 2.0
   45    43   -47    50   0.67350  1.0 3.0
   45    43   -47    54   0.07850  1.0 1.0
   45    43   -47    54  -0.03950 -1.0 2.0
   45    43   -47    54   0.67350  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.15000  1.0 3.0
   45    47    50    53   0.15000  1.0 3.0
   45    47    54    55   0.15000  1.0 3.0
   45    47    54    56   0.15000  1.0 3.0
   45    47    54    57   0.15000  1.0 3.0
   45    48    58    59   1.63150  1.0 1.0
   45    48    58    59   2.92000 -1.0 2.0
   46    45   -47    43   0.15000  1.0 3.0
   46    45    47    50   0.15000  1.0 3.0
   46    45    47    54   0.15000  1.0 3.0
   46    45    48    49   0.50000  1.0 3.0
   46    45    48    58   0.00000  1.0 1.0
   47    43   -45    46   0.15000  1.0 3.0
   47    43   -45    48  -0.95700  1.0 1.0
   47    43   -45    48  -0.18200 -1.0 2.0
   47    43   -45    48   0.29450  1.0 3.0
   47    45    48    49   0.30150 -1.0 2.0
   47    45    48    58   0.36750  1.0 3.0
   50    47    54    55   0.15000  1.0 3.0
   50    47    54    56   0.15000  1.0 3.0
   50    47    54    57   0.15000  1.0 3.0
   54    47    50    51   0.15000  1.0 3.0
   54    47    50    52   0.15000  1.0 3.0
   54    47    50    53   0.15000  1.0 3.0
   48    45   -47    43  -0.95700  1.0 1.0
   48    45   -47    43  -0.18200 -1.0 2.0
   48    45   -47    43   0.29450  1.0 3.0
   48    45    47    50  -0.95700  1.0 1.0
   48    45    47    50  -0.18200 -1.0 2.0
   48    45    47    50   0.29450  1.0 3.0
   48    45    47    54  -0.95700  1.0 1.0
   48    45    47    54  -0.18200 -1.0 2.0
   48    45    47    54   0.29450  1.0 3.0
   48    58    59    60   0.08050  1.0 3.0
   48    58    59    61   0.08050  1.0 3.0
   48    58    59    62  -0.43900 -1.0 2.0
   48    58    59    62   0.14100  1.0 3.0
   49    48    58    59   3.00000 -1.0 2.0
   58    59    62    63   0.64500  1.0 1.0
   58    59    62    63   0.14800 -1.0 2.0
   58    59    62    63   0.20650  1.0 3.0
   58    59    62    71   0.64500  1.0 1.0
   58    59    62    71   0.14800 -1.0 2.0
   58    59    62    71   0.20650  1.0 3.0
   59    62    63    64   3.62500 -1.0 2.0
   59    62    63    65   3.62500 -1.0 2.0
   59    62    71    69   3.62500 -1.0 2.0
   59    62    71    74   3.62500 -1.0 2.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    71   0.00000  1.0 1.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    71   0.00000  1.0 1.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    67   3.62500 -1.0 2.0
   62    71    74    75   0.00000  1.0 1.0
   62    71    74    76   0.00000  1.0 1.0
   62    71    74    77   0.00000  1.0 1.0
   63    62    71    69   3.62500 -1.0 2.0
   63    62    71    74   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65   -67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    70    72  -0.19450  1.0 1.0
   67    69    70    72   0.63300 -1.0 2.0
   67    69    70    72   0.07450  1.0 3.0
   67    69    70    84  -0.19450  1.0 1.0
   67    69    70    84   0.63300 -1.0 2.0
   67    69    70    84   0.07450  1.0 3.0
   67    69   -71    62   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    78   3.62500 -1.0 2.0
   69    70    84    82   3.62500 -1.0 2.0
   69    70    84    85   3.62500 -1.0 2.0
   69    71    74    75   0.00000  1.0 1.0
   69    71    74    76   0.00000  1.0 1.0
   69    71    74    77   0.00000  1.0 1.0
   70    69    71    62   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   70    72    78    79   3.62500 -1.0 2.0
   70    72    78    80   3.62500 -1.0 2.0
   72    70    84    82   3.62500 -1.0 2.0
   72    70    84    85   3.62500 -1.0 2.0
   72    78    80    81   3.62500 -1.0 2.0
   72    78   -80    82   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   78    80    82    84   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82   -84    70   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   83    82    84    70   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   84    70    72    73   3.62500 -1.0 2.0
   84    70   -72    78   3.62500 -1.0 2.0
   71    62    63    64   3.62500 -1.0 2.0
   71    62   -63    65   3.62500 -1.0 2.0
   71    69    70    72  -0.19450  1.0 1.0
   71    69    70    72   0.63300 -1.0 2.0
   71    69    70    72   0.07450  1.0 3.0
   71    69    70    84  -0.19450  1.0 1.0
   71    69    70    84   0.63300 -1.0 2.0
   71    69    70    84   0.07450  1.0 3.0
   39    33    37    38   7.00000 -1.0 2.0
   39    33    37    43   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   29    39    33    37  15.00000 -1.0 2.0
   43    38    37    33  15.00000 -1.0 2.0
   45    58    48    49  10.50000 -1.0 2.0
   63    71    62    59   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   70    71    69    67   4.00000 -1.0 2.0
   72    84    70    69   4.00000 -1.0 2.0
   78    73    72    70   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   82    85    84    70   1.10000 -1.0 2.0
   69    74    71    62   4.00000 -1.0 2.0
END
