* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    154    224     442
    1     0 S   NP   _N1_     1    28.83018    96.40878   -24.64954
    2     1 S   H    _HN1     2     1.02947    70.83396     6.78076
    3     1 S   H    _H1_     3     1.02828    36.65667   178.03338
    4     1 S   H    _H2_     4     1.02793   114.84695   -95.14548
    5     1 S   CT   _CA1     5     1.50120   129.51177   107.86156
    6     5 S   HC   _HA1     6     1.09574   105.17349    96.20138
    7     5 S   CO3  _C1_     7     1.53768   112.44717   -24.01959
    8     7 S   O2Z  _O11     8     1.26374   115.00984   -43.19010
    9     7 S   O2Z  _O12     9     1.26235   114.93394   135.84557
   10     5 S   CT   _CB1    10     1.53062   107.40708  -145.84118
   11    10 S   HC   HB11    11     1.09840   109.32767   -49.56609
   12    10 S   HC   HB12    12     1.09811   110.47525    67.02050
   13    10 S   CT   _CG1    13     1.53020   112.64404  -170.51177
   14    13 S   HC   HG11    14     1.09572   110.71451   -66.98552
   15    13 S   HC   HG12    15     1.09669   109.72051    52.27123
   16    13 S   C    _CD1    16     1.51810   112.01508   172.73472
   17    16 S   O    _OE1    17     1.22755   123.18880    11.19385
   18    16 S   N    _N2_    18     1.38653   111.82462  -168.82950
   19    18 S   H    _HN2    19     1.01579   118.99312     1.12813
   20    18 S   CT1  _CA2    20     1.46206   123.33208   176.64725
   21    20 S   HC   _HA2    21     1.09743   109.28100     6.55957
   22    20 S   C    _C2_    22     1.53647   108.85309  -108.93064
   23    22 S   O    _O2_    23     1.23081   122.23420  -148.80503
   24    20 S   CT   _CB2    32     1.53308   111.68422   128.51970
   25    24 S   HC   HB21    33     1.09529   110.14150    57.01433
   26    24 S   HC   HB22    34     1.09526   109.98151   176.07474
   27    22 S   N    _N3_    24     1.38311   113.84395    38.68236
   28    27 S   H    _HN3    25     1.01553   119.60547    -3.20314
   29    24 S   S    _SG2    35     1.82701   111.51762   -64.24930
   30    27 S   CT   _CA3    26     1.45288   123.29183   177.18993
   31    30 S   HC   HA31    27     1.09547   107.50591   -64.90408
   32    30 S   HC   HA32    28     1.09555   108.00424    51.55683
   33    29 S   CT   _C15    36     1.86018    99.51917  -176.16723
   34    33 S   HC   _H3_    37     1.09654   107.02459    33.09412
   35    30 S   CO3  _C3_    29     1.52980   114.03328   173.55536
   36    35 S   O2Z  _O31    30     1.26385   116.06536    -0.66470
   37    35 S   O2Z  _O32    31     1.26424   114.42230   179.39769
   38    33 S   CM   _C10    38     1.50961   106.40318   -82.08386
   39    38 S   HC   _H30    39     1.08993   115.80564    74.37852
   40    38 S   CMA  _C11    40     1.34880   126.10449  -106.95606
   41    40 S   OM   _O21    41     1.26168   129.47819  -178.71488
   42    40 S   CT   _C13    42     1.52321   119.15972     0.97558
   43    42 S   HC   _H31    43     1.10021   110.51098   131.55638
   44    42 S   HC   _H32    44     1.09978   108.98264  -112.14986
   45    42 S   CT   _C14    45     1.53681   115.37120    10.03637
   46    45 S   HC   _H33    46     1.09855   107.91678    81.19853
   47    45 S   HC   _H34    47     1.09689   108.01336  -165.20542
   48    33 S   CT   _C16    48     1.57931   113.41458   152.51691
   49    48 S   CA   _C7_    49     1.55185   110.78421   -48.18150
   50    48 S   CT   _C21    68     1.57668   108.40272  -165.64922
   51    50 S   HC   _H48    69     1.09786   109.75474    61.11168
   52    50 S   HC   _H49    70     1.09639   110.67293   -53.13123
   53    49 S   CA   _C4_    50     1.40173   122.63474   123.70082
   54    53 S   HA   _H27    51     1.08587   121.53282    -0.56958
   55    50 S   CT   _C22    71     1.53664   115.12547  -175.77488
   56    55 S   HC   _H50    72     1.09374   110.98666   -49.10618
   57    55 S   HC   _H51    73     1.09509   111.15260    69.81261
   58    53 S   CA   _C5_    52     1.39942   121.36003   179.40062
   59    58 S   HA   _H28    53     1.08576   117.46542  -179.95577
   60    55 S   N    _N20    74     1.46844   111.24109  -169.79429
   61    58 S   CA   _C8_    54     1.39584   120.66125    -0.00000
   62    60 S   CO4  _C12    75     1.39777   122.60789    87.74852
   63    62 S   O    _O22    76     1.22883   124.46239  -179.12643
   64    60 S   CT   _C17    82     1.45541   117.07397   -88.50514
   65    64 S   HC   _H36    83     1.09375   108.81469   -59.74763
   66    64 S   HC   _H37    84     1.09289   111.62813  -180.00000
   67    64 S   HC   _H38    85     1.09352   108.95778    59.70838
   68    61 S   CA   _C9_    55     1.40369   119.24039     0.16432
   69    61 S   OS   _O23    63     1.37281   124.70009  -179.85463
   70    62 S   OS   _O25    77     1.36939   112.38641     0.41590
   71    49 S   CA   _C6_    56     1.41151   120.08167   -56.69682
   72    71 S   HA   _H29    57     1.08566   118.32249     0.58283
   73    68 S   OS   _O24    58     1.37377   115.87935  -179.94405
   74    69 S   CT   _C18    64     1.42221   117.29426    -0.32984
   75    74 S   HC   _H39    65     1.09430   107.73681  -179.83331
   76    74 S   HC   _H40    66     1.09496   111.13914    62.45863
   77    74 S   HC   _H41    67     1.09496   111.15117   -62.11739
   78    70 S   CT   _C20    78     1.43078   115.98984  -179.47961
   79    78 S   HC   _H45    79     1.09331   108.05898  -178.63141
   80    78 S   HC   _H46    80     1.09404   110.18432    62.76004
   81    78 S   HC   _H47    81     1.09411   110.37058   -59.94952
   82    73 S   CT   _C19    59     1.42212   117.44259  -178.89129
   83    82 S   HC   _H42    60     1.09426   107.72779   179.40455
   84    82 S   HC   _H43    61     1.09505   111.15979    61.70109
   85    82 S   HC   _H44    62     1.09492   111.15226   -62.92559
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  10   4   8   4   8   5   4  10   4   3  14
  13  10   5   4   8   4  10   4   3   7   3   8  10  10   3   4
   2   1   1   9   6   4   3   1   4   3   2   1   1   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    48    49    53    71    50    51    52    55  
   38    39    40    45    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    49    50  
   40    41    42    48  
   41    42    43    44    45    46    47    48  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47    48  
   45    46    47    48  
   46    47    48    49    53    71    50    51    52    55  
   47    48    49    50  
   48    49    50  
   49    53    54    58    68    71    72    50    51    52    55    56    57    60  
   53    54    58    59    61    68    71    72    73    50    51    52    55  
   51    52    55    56    57    60    62    64    53    71  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    61    68    71    72    69  
   58    59    61    71  
   56    57    60    62    63    70    64    65    66    67  
   57    60    62    64  
   60    62    64  
   59    61    68    71    73    69    74  
   61    68    69  
   62    63    70    78    64    65    66    67  
   68    71    72    73    82    69    74    75    76    77  
   63    70    78    79    80    81    64    65    66    67  
   70    78    64  
   65    66    67    70  
   66    67  
   67  
    0  
   71    72    73    82    83    84    85    69    74  
   74    75    76    77    71    73  
   78    79    80    81  
   72    73    82  
   73  
   82    83    84    85  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.2500   0.1700  -0.221900   1.8100   1.6000   0.054801302  -1.445846770
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.699500   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.497000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660  -0.130300   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   317.000  1.510
   48    50   268.000  1.529
   49    53   469.000  1.400
   49    71   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    68   469.000  1.400
   61    69   450.000  1.364
   68    71   469.000  1.400
   68    73   450.000  1.364
   71    72   367.000  1.080
   73    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   69    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   337.000  1.449
   60    62   435.000  1.380
   60    64   337.000  1.449
   62    63   570.000  1.229
   62    70   214.000  1.327
   70    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    45    58.35000  112.70000
   33    48    49    70.00000  112.17500
   33    48    50    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    48    49    70.00000  112.17500
   45    48    50    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    49    53    70.00000  120.00000
   48    49    71    70.00000  120.00000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   49    53    54    35.00000  120.00000
   49    53    58    63.00000  120.00000
   49    71    68    63.00000  120.00000
   49    71    72    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    61    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    61    68    63.00000  120.00000
   58    61    69    70.00000  120.00000
   61    58    59    35.00000  120.00000
   61    68    71    63.00000  120.00000
   61    68    73    70.00000  120.00000
   61    69    74    75.00000  111.00000
   68    71    72    35.00000  120.00000
   68    73    82    75.00000  111.00000
   71    49    53    63.00000  120.00000
   73    68    71    70.00000  120.00000
   73    82    83    35.00000  109.50000
   73    82    84    35.00000  109.50000
   73    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   69    61    68    70.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    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
   50    48    49    70.00000  112.17500
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    70.00000  110.72300
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    62    70.00000  120.44000
   55    60    64    50.00000  118.00000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    62    63    85.00000  125.96000
   60    62    70   110.00000  108.75700
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   62    70    78    83.00000  116.90000
   70    62    63    83.00000  123.40000
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   64    60    62    70.00000  120.44000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    49    53   0.04150 -1.0 2.0
   33    48    49    71   0.04150 -1.0 2.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52   0.15000  1.0 3.0
   33    48    50    55   0.56750  1.0 1.0
   33    48    50    55  -0.07550 -1.0 2.0
   33    48    50    55   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    45   0.15000  1.0 3.0
   34    33    48    49   0.43200  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    45   0.34400  1.0 1.0
   38    33    48    45   0.09450 -1.0 2.0
   38    33    48    45   0.11100  1.0 3.0
   38    33    48    49   0.21200  1.0 1.0
   38    33    48    49   0.16900 -1.0 2.0
   38    33    48    49  -1.15100  1.0 3.0
   38    33    48    50   0.34400  1.0 1.0
   38    33    48    50   0.09450 -1.0 2.0
   38    33    48    50   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.15000  1.0 3.0
   40    42    45    48   0.34400  1.0 1.0
   40    42    45    48   0.09450 -1.0 2.0
   40    42    45    48   0.11100  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45   -48    33   0.56750  1.0 1.0
   42    45   -48    33  -0.07550 -1.0 2.0
   42    45   -48    33   0.20000  1.0 3.0
   42    45    48    49  -0.03700  1.0 1.0
   42    45    48    49   0.37200 -1.0 2.0
   42    45    48    49  -0.47300  1.0 3.0
   42    45    48    50   0.56750  1.0 1.0
   42    45    48    50  -0.07550 -1.0 2.0
   42    45    48    50   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.15000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    48   0.15000  1.0 3.0
   45    48    49    53   0.04150 -1.0 2.0
   45    48    49    71   0.04150 -1.0 2.0
   45    48    50    51   0.15000  1.0 3.0
   45    48    50    52   0.15000  1.0 3.0
   45    48    50    55   0.56750  1.0 1.0
   45    48    50    55  -0.07550 -1.0 2.0
   45    48    50    55   0.20000  1.0 3.0
   46    45    48    33   0.15000  1.0 3.0
   46    45    48    49   0.43200  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   47    45    48    33   0.15000  1.0 3.0
   47    45    48    49   0.43200  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    53    58   3.62500 -1.0 2.0
   48    49    71    68   3.62500 -1.0 2.0
   48    49    71    72   3.62500 -1.0 2.0
   48    50    55    56   0.15000  1.0 3.0
   48    50    55    57   0.15000  1.0 3.0
   48    50    55    60   0.43900  1.0 1.0
   48    50    55    60   0.49100 -1.0 2.0
   48    50    55    60   0.28400  1.0 3.0
   49    48    50    51   0.43200  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    55  -0.03700  1.0 1.0
   49    48    50    55   0.37200 -1.0 2.0
   49    48    50    55  -0.47300  1.0 3.0
   49    53    58    59   3.62500 -1.0 2.0
   49    53    58    61   3.62500 -1.0 2.0
   53    49    71    68   3.62500 -1.0 2.0
   53    49    71    72   3.62500 -1.0 2.0
   53    58   -61    68   3.62500 -1.0 2.0
   53    58    61    69   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    61   3.62500 -1.0 2.0
   58    61    68    71   3.62500 -1.0 2.0
   58    61    68    73   3.62500 -1.0 2.0
   58    61    69    74   1.63200 -1.0 2.0
   59    58    61    68   3.62500 -1.0 2.0
   59    58    61    69   3.62500 -1.0 2.0
   61    68   -71    49   3.62500 -1.0 2.0
   61    68    71    72   3.62500 -1.0 2.0
   61    68    73    82   1.63200 -1.0 2.0
   61    69    74    75   0.08050  1.0 3.0
   61    69    74    76   0.08050  1.0 3.0
   61    69    74    77   0.08050  1.0 3.0
   68    61    69    74   1.63200 -1.0 2.0
   68    73    82    83   0.08050  1.0 3.0
   68    73    82    84   0.08050  1.0 3.0
   68    73    82    85   0.08050  1.0 3.0
   71    49    53    54   3.62500 -1.0 2.0
   71    49   -53    58   3.62500 -1.0 2.0
   71    68    73    82   1.63200 -1.0 2.0
   73    68    71    49   3.62500 -1.0 2.0
   73    68    71    72   3.62500 -1.0 2.0
   69    61    68    71   3.62500 -1.0 2.0
   69    61    68    73   3.62500 -1.0 2.0
   50    48    49    53   0.04150 -1.0 2.0
   50    48    49    71   0.04150 -1.0 2.0
   50    55    60    62  -0.43950  1.0 1.0
   50    55    60    62  -0.08100 -1.0 2.0
   50    55    60    62   0.03350  1.0 3.0
   50    55    60    64  -0.05900 -1.0 2.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    60    62    63   3.04450 -1.0 2.0
   55    60    62    70   2.45000 -1.0 2.0
   55    60    64    65   0.00000  1.0 1.0
   55    60    64    66   0.00000  1.0 1.0
   55    60    64    67   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    64   0.00000  1.0 1.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    64   0.00000  1.0 1.0
   60    62    70    78  -0.80800  1.0 1.0
   60    62    70    78   2.06850 -1.0 2.0
   62    60    64    65   0.00000  1.0 1.0
   62    60    64    66   0.00000  1.0 1.0
   62    60    64    67   0.00000  1.0 1.0
   62    70    78    79   0.08050  1.0 3.0
   62    70    78    80   0.08050  1.0 3.0
   62    70    78    81   0.08050  1.0 3.0
   63    62    70    78   3.00000 -1.0 2.0
   64    60    62    63   3.04450 -1.0 2.0
   64    60    62    70   2.45000 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   53    71    49    48   4.00000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   61    59    58    53   1.10000 -1.0 2.0
   68    69    61    58   4.00000 -1.0 2.0
   71    73    68    61   4.00000 -1.0 2.0
   68    72    71    49   1.10000 -1.0 2.0
   64    62    60    55   1.00000 -1.0 2.0
   60    70    62    63  10.50000 -1.0 2.0
END
