* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    153    242     458
    1     0 S   NP   _N1_     1    28.59782    94.38171   -21.77923
    2     1 S   H    _HN1     2     1.02838    29.94560   139.74564
    3     1 S   H    _H1_     3     1.02777    93.22323   -99.01135
    4     1 S   H    _H2_     4     1.02960    87.95373     9.24769
    5     1 S   CT   _CA1     5     1.50125   140.36706   129.45289
    6     5 S   HC   _HA1     6     1.09575   105.21776    64.63206
    7     5 S   CO3  _C1_     7     1.53720   112.35013   -55.57362
    8     7 S   O2Z  _O11     8     1.26364   114.98274   -43.62121
    9     7 S   O2Z  _O12     9     1.26213   114.93567   135.47467
   10     5 S   CT   _CB1    10     1.53077   107.42391  -177.43524
   11    10 S   HC   HB11    11     1.09827   109.26135   -50.17957
   12    10 S   HC   HB12    12     1.09816   110.47079    66.37543
   13    10 S   CT   _CG1    13     1.53021   112.70632  -171.23662
   14    13 S   HC   HG11    14     1.09614   110.50799   -65.00836
   15    13 S   HC   HG12    15     1.09566   109.79974    54.15689
   16    13 S   C    _CD1    16     1.51865   112.21027   174.45571
   17    16 S   O    _OE1    17     1.22733   123.22710    -1.21192
   18    16 S   N    _N2_    18     1.38574   111.81266   178.82264
   19    18 S   H    _HN2    19     1.01582   118.97307     1.93118
   20    18 S   CT1  _CA2    20     1.46344   123.50248  -177.17922
   21    20 S   HC   _HA2    21     1.09703   109.45125     1.31938
   22    20 S   C    _C2_    22     1.53284   108.12274  -114.91434
   23    22 S   O    _O2_    23     1.23023   122.30487  -140.11717
   24    20 S   CT   _CB2    32     1.53468   111.38363   123.11475
   25    24 S   HC   HB21    33     1.09247   109.34683    65.73868
   26    24 S   HC   HB22    34     1.09528   110.45520  -176.53796
   27    22 S   N    _N3_    24     1.38474   113.51349    46.17285
   28    27 S   H    _HN3    25     1.01500   119.07071     1.34071
   29    24 S   S    _SG2    35     1.82470   111.09403   -56.54395
   30    27 S   CT   _CA3    26     1.45396   123.15867   177.07557
   31    30 S   HC   HA31    27     1.09548   108.92588    30.09141
   32    30 S   HC   HA32    28     1.09493   107.17649   146.93305
   33    29 S   CT   _C11    36     1.82611   100.72009   146.28197
   34    33 S   HC   _H7_    37     1.09458   105.29191    73.01474
   35    30 S   CO3  _C3_    29     1.52882   113.27073   -93.29007
   36    35 S   O2Z  _O31    30     1.26381   115.40918   -44.99998
   37    35 S   O2Z  _O32    31     1.26354   114.94168   135.93921
   38    33 S   CM   _C12    38     1.49585   110.02152  -169.11409
   39    33 S   OS   _O33    51     1.42961   115.68592   -42.85172
   40    38 S   CT   _C8_    39     1.49869   119.97954    91.21573
   41    40 S   HC   _H4_    40     1.10036   108.30384   148.81549
   42    38 S   CMA  _C13    80     1.51636   120.16584   -94.86060
   43    42 S   OM   _O34    81     1.26227   120.54568   -65.41255
   44    42 S   OM   _O35    82     1.26200   120.49889   114.82699
   45    40 S   CT   _C7_    41     1.53498   114.29633   -90.74817
   46    45 S   HC   _H15    42     1.09515   111.27524   -73.39537
   47    45 S   HC   _H16    43     1.09559   111.60993    47.79830
   48    45 S   CT   _C6_    44     1.52424   103.40867   165.76463
   49    48 S   HC   _H3_    45     1.09314   111.99096  -156.66699
   50    48 S   CM   _C5_    46     1.50339   103.03762   -34.65417
   51    48 S   OH   _O42    78     1.42203   110.19758    81.44029
   52    51 S   HO   _H23    79     0.97216   107.22112    60.15920
   53    40 S   CT   _C9_    47     1.54021   114.01129    28.84932
   54    53 S   HC   _H5_    48     1.09852   108.72675    89.02989
   55    50 S   CM   _C4_    75     1.33945   123.53184  -162.42737
   56    55 S   HC   _H13    76     1.08521   120.85926    -0.38563
   57    55 S   HC   _H14    77     1.08396   121.54703   179.95577
   58    53 S   CO   _C10    49     1.54126   113.20795   -32.89349
   59    58 S   HC   _H6_    50     1.09602   111.14118   -74.52094
   60    58 S   OS1  _O36    52     1.43614   106.82430   167.17025
   61    60 S   CO1  _C14    53     1.43179   114.26365   173.19557
   62    61 S   HC   _H8_    54     1.09641   109.50620    42.84138
   63    61 S   CT   _C15    55     1.53489   106.42507   161.24633
   64    63 S   HC   _H9_    56     1.09690   110.05573    53.07843
   65    63 S   CT   _C16    57     1.52778   111.25935   175.16884
   66    65 S   HC   _H10    58     1.09660   110.43114    72.09935
   67    63 S   OH5  _O41    73     1.43001   110.04605   -63.70920
   68    67 S   HO   _H22    74     0.97234   108.21877   -56.08922
   69    65 S   CT   _C17    59     1.52874   110.78315   -50.65156
   70    69 S   HC   _H11    60     1.09649   108.67042   -70.99108
   71    65 S   OH5  _O40    71     1.42952   109.68535  -171.79001
   72    71 S   HO   _H21    72     0.97248   108.12357    60.51270
   73    69 S   CT   _C18    61     1.53471   110.73397    50.73119
   74    73 S   HC   _H12    62     1.09764   110.03333    64.77055
   75    69 S   OH5  _O39    69     1.42686   109.63122   172.42464
   76    75 S   HO   _H20    70     0.97258   108.21400   -58.70959
   77    61 S   OS1  _O37    63     1.43047   110.98229   -78.49722
   78    73 S   CT   _C19    64     1.53251   111.87494  -176.10841
   79    78 S   HC   _H17    65     1.09449   110.94599   -63.20007
   80    78 S   HC   _H18    66     1.09209   110.55939   176.06796
   81    78 S   OH5  _O38    67     1.42287   110.62342    57.17164
   82    81 S   HO   _H19    68     0.97232   107.09745   179.83214
  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   7   5   4   3
  13   5   2   1   1  14   9  17   9   4   1   1  11   6   5  10
   5  10   3   1   8   4   3   1   1   6   2   8  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    58    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    53    58    59    39    60    42    43    44  
   38    40    58    39    42  
   36    37  
   37  
    0  
   40    41    45    46    47    48    50    53    54    58    39    42    43    44  
   60    61    42    40    50    53    54    58    59  
   41    45    46    47    48    49    50    53    54    58    59    60    55    51    42    43    44  
   45    46    47    48    50    53    54    58    42  
   43    44    45    53  
   44  
    0  
   46    47    48    49    50    53    54    58    55    51    52  
   47    48    49    50    53    51  
   48    49    50    53    51  
   49    50    53    54    58    55    56    57    51    52  
   50    53    55    51    52  
   53    54    58    59    60    55    56    57    51    52  
   52    53    55  
    0  
   54    58    59    60    61    55    56    57  
   58    59    60    55  
   56    57    58  
   57  
    0  
   59    60    61    62    63    77  
   60    61  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    53   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    51   320.000  1.410
   50    53   317.000  1.510
   50    55   549.000  1.340
   53    54   340.000  1.090
   53    58   250.000  1.527
   58    59   340.000  1.090
   58    39   320.000  1.380
   58    60   320.000  1.380
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   55    56   340.000  1.080
   55    57   340.000  1.080
   51    52   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
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    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    58    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    45    70.00000  112.02700
   38    40    53    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   40    53    50    70.00000  112.02700
   40    53    54    37.50000  110.70000
   40    53    58    75.00000  109.43000
   45    40    41    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    70.00000  112.02700
   45    48    51    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    53    65.00000  117.92700
   48    50    55    70.00000  124.00000
   48    51    52    55.00000  108.50000
   50    48    49    35.00000  109.50000
   50    53    54    35.00000  109.50000
   50    53    58    70.00000  112.02700
   50    55    56    35.00000  120.00000
   50    55    57    35.00000  120.00000
   53    40    41    37.50000  110.70000
   53    40    45    58.35000  112.70000
   53    58    59    45.00000  112.01100
   53    58    39    90.00000  108.56700
   53    58    60    90.00000  108.56700
   58    53    54    45.00000  108.72000
   58    60    61    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    58    59    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    58    39    92.60000  111.55000
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   55    50    53    70.00000  124.00000
   57    55    56    35.00000  117.00000
   51    48    49    35.00000  109.50000
   51    48    50    90.00000  110.39200
   42    38    40    70.00000  124.00000
   44    42    43    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    58   0.14700  1.0 1.0
   29    33    39    58  -1.16150 -1.0 2.0
   29    33    39    58   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    45   0.46850  1.0 1.0
   33    38    40    45   0.08550 -1.0 2.0
   33    38    40    45   0.09800  1.0 3.0
   33    38    40    53   0.46850  1.0 1.0
   33    38    40    53   0.08550 -1.0 2.0
   33    38    40    53   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    58   0.37050  1.0 3.0
   38    33    39    58  -0.77900  1.0 1.0
   38    33    39    58  -0.36900 -1.0 2.0
   38    33    39    58   0.40400  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    48   0.34400  1.0 1.0
   38    40    45    48   0.09450 -1.0 2.0
   38    40    45    48   0.11100  1.0 3.0
   38    40    53    50   0.31000  1.0 1.0
   38    40    53    50   0.14700 -1.0 2.0
   38    40    53    50   0.07550  1.0 3.0
   38    40    53    54   0.15000  1.0 3.0
   38    40   -53    58   0.34400  1.0 1.0
   38    40   -53    58   0.09450 -1.0 2.0
   38    40   -53    58   0.11100  1.0 3.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    44   7.00000 -1.0 2.0
   40    45    48    49   0.15000  1.0 3.0
   40    45   -48    50   0.34400  1.0 1.0
   40    45   -48    50   0.09450 -1.0 2.0
   40    45   -48    50   0.11100  1.0 3.0
   40    45    48    51   0.86500  1.0 1.0
   40    45    48    51  -0.17500 -1.0 2.0
   40    45    48    51   0.20800  1.0 3.0
   40    53    58    59   0.15000  1.0 3.0
   40    53    58    39   0.62750  1.0 1.0
   40    53    58    39  -0.30950 -1.0 2.0
   40    53    58    39   0.27300  1.0 3.0
   40    53    58    60   0.62750  1.0 1.0
   40    53    58    60  -0.30950 -1.0 2.0
   40    53    58    60   0.27300  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    53    50   0.15000  1.0 3.0
   41    40    53    54   0.15000  1.0 3.0
   41    40    53    58   0.15000  1.0 3.0
   45    40   -53    50   0.34400  1.0 1.0
   45    40   -53    50   0.09450 -1.0 2.0
   45    40   -53    50   0.11100  1.0 3.0
   45    40    53    54   0.15000  1.0 3.0
   45    40    53    58   3.97050  1.0 1.0
   45    48   -50    53   0.46850  1.0 1.0
   45    48   -50    53   0.08550 -1.0 2.0
   45    48   -50    53   0.09800  1.0 3.0
   45    48    50    55   0.09850  1.0 1.0
   45    48    50    55   0.15250 -1.0 2.0
   45    48    50    55  -0.50650  1.0 3.0
   45    48    51    52  -0.11600  1.0 1.0
   45    48    51    52  -0.09450 -1.0 2.0
   45    48    51    52   0.21250  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.23400  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.23400  1.0 3.0
   48    50   -53    40   0.46850  1.0 1.0
   48    50   -53    40   0.08550 -1.0 2.0
   48    50   -53    40   0.09800  1.0 3.0
   48    50    53    54   0.34800  1.0 3.0
   48    50    53    58   0.46850  1.0 1.0
   48    50    53    58   0.08550 -1.0 2.0
   48    50    53    58   0.09800  1.0 3.0
   48    50    55    56   7.00000 -1.0 2.0
   48    50    55    57   7.00000 -1.0 2.0
   49    48    50    53   0.34800  1.0 3.0
   49    48    50    55   0.00000  1.0 1.0
   49    48    51    52   0.19450  1.0 3.0
   50    48    51    52  -0.07800  1.0 1.0
   50    48    51    52  -0.21500 -1.0 2.0
   50    48    51    52  -0.03150  1.0 3.0
   50    53    58    59   0.15000  1.0 3.0
   50    53    58    39   0.61850  1.0 1.0
   50    53    58    39  -0.22750 -1.0 2.0
   50    53    58    39   0.15300  1.0 3.0
   50    53    58    60   0.61850  1.0 1.0
   50    53    58    60  -0.22750 -1.0 2.0
   50    53    58    60   0.15300  1.0 3.0
   53    40    45    46   0.15000  1.0 3.0
   53    40    45    47   0.15000  1.0 3.0
   53    40   -45    48   0.56750  1.0 1.0
   53    40   -45    48  -0.07550 -1.0 2.0
   53    40   -45    48   0.20000  1.0 3.0
   53    50    55    56   7.00000 -1.0 2.0
   53    50    55    57   7.00000 -1.0 2.0
   53    58   -39    33   0.06250  1.0 1.0
   53    58   -39    33  -0.01100 -1.0 2.0
   53    58   -39    33   0.28050  1.0 3.0
   53    58    60    61   0.06250  1.0 1.0
   53    58    60    61  -0.01100 -1.0 2.0
   53    58    60    61   0.28050  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    39   0.23400  1.0 3.0
   54    53    58    60   0.23400  1.0 3.0
   58    60    61    62   0.37050  1.0 3.0
   58    60    61    63   0.06250  1.0 1.0
   58    60    61    63  -0.01100 -1.0 2.0
   58    60    61    63   0.28050  1.0 3.0
   58    60    61    77  -0.12700  1.0 1.0
   58    60    61    77  -1.16200 -1.0 2.0
   58    60    61    77   0.58800  1.0 3.0
   59    58    39    33   0.37050  1.0 3.0
   59    58    60    61   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    58    60    61  -0.53350  1.0 1.0
   39    58    60    61  -0.78350 -1.0 2.0
   39    58    60    61   0.33750  1.0 3.0
   60    58    39    33  -0.81800  1.0 1.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   55    50    53    40   0.09850  1.0 1.0
   55    50    53    40   0.15250 -1.0 2.0
   55    50    53    40  -0.50650  1.0 3.0
   55    50    53    54   0.00000  1.0 1.0
   55    50    53    58   0.09850  1.0 1.0
   55    50    53    58   0.15250 -1.0 2.0
   55    50    53    58  -0.50650  1.0 3.0
   51    48    50    53   0.18000  1.0 1.0
   51    48    50    53   0.16450 -1.0 2.0
   51    48    50    53   0.04450  1.0 3.0
   51    48    50    55   0.67800  1.0 1.0
   51    48    50    55   0.47050 -1.0 2.0
   51    48    50    55  -0.62500  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45   0.09850  1.0 1.0
   42    38    40    45   0.15250 -1.0 2.0
   42    38    40    45  -0.50650  1.0 3.0
   42    38    40    53   0.09850  1.0 1.0
   42    38    40    53   0.15250 -1.0 2.0
   42    38    40    53  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    42   1.10000 -1.0 2.0
   48    53    50    55   1.10000 -1.0 2.0
   56    57    55    50   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
