* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    232     459
    1     0 S   NP   _N1_     1    29.36153    91.96824   -23.29798
    2     1 S   H    _HN1     2     1.02816   101.95355   -90.51311
    3     1 S   H    _H1_     3     1.02850   101.00220    20.85184
    4     1 S   H    _H2_     4     1.02977    11.12187   146.98688
    5     1 S   CT   _CA1     5     1.50657   121.12769   144.37825
    6     5 S   HC   _HA1     6     1.09676   104.58610    64.90487
    7     5 S   CO3  _C1_     7     1.54374   110.90325   -50.74753
    8     7 S   O2Z  _O11     8     1.26112   116.81746  -122.91435
    9     7 S   O2Z  _O12     9     1.26513   113.89087    55.73999
   10     5 S   CT   _CB1    10     1.53062   106.76678  -179.10935
   11    10 S   HC   HB11    11     1.09832   109.59601   -42.04001
   12    10 S   HC   HB12    12     1.09763   110.17180    74.44602
   13    10 S   CT   _CG1    13     1.53124   112.90420  -163.00209
   14    13 S   HC   HG11    14     1.09458   110.81740   -60.32156
   15    13 S   HC   HG12    15     1.09625   110.16374    58.86419
   16    13 S   C    _CD1    16     1.51806   111.55098   178.28868
   17    16 S   O    _OE1    17     1.22776   122.85896   -18.15513
   18    16 S   N    _N2_    18     1.38599   112.23721   163.00293
   19    18 S   H    _HN2    19     1.01571   119.29302     1.54053
   20    18 S   CT1  _CA2    20     1.46145   123.07808  -179.05664
   21    20 S   HC   _HA2    21     1.09561   109.28489    -9.80664
   22    20 S   C    _C2_    22     1.53434   108.73935  -124.77902
   23    22 S   O    _O2_    23     1.23020   122.17648  -146.67215
   24    20 S   CT   _CB2    32     1.53491   111.98717   112.51802
   25    24 S   HC   HB21    33     1.09689   109.21232    65.20621
   26    24 S   HC   HB22    34     1.09471   110.82608  -178.36051
   27    22 S   N    _N3_    24     1.38499   113.42905    40.93417
   28    27 S   H    _HN3    25     1.01506   118.98154    -0.64041
   29    24 S   S    _SG2    35     1.83086   115.54472   -53.95605
   30    27 S   CT   _CA3    26     1.45436   123.27691   174.40178
   31    30 S   HC   HA31    27     1.09533   109.04822    28.24287
   32    30 S   HC   HA32    28     1.09487   107.18083   145.27690
   33    29 S   CT   _C16    36     1.83919   101.55858   -62.74441
   34    33 S   HC   _H4_    37     1.09324   107.28141    49.12214
   35    30 S   CO3  _C3_    29     1.52962   113.21485   -95.04648
   36    35 S   O2Z  _O31    30     1.26394   115.48262   -41.84569
   37    35 S   O2Z  _O32    31     1.26361   114.92522   139.03897
   38    33 S   C    _C15    38     1.53463   108.25543   163.36246
   39    38 S   O    _O34    39     1.22984   123.54847    31.86696
   40    33 S   CT   _C17    82     1.53263   113.51962   -71.39026
   41    40 S   HC   _H5_    83     1.09575   110.81797    48.77717
   42    38 S   N    _N8_    40     1.38825   112.48103  -148.68838
   43    42 S   H    _H29    41     1.01543   119.14650     4.21222
   44    40 S   CO3  _C18    84     1.53970   114.49911   -73.72425
   45    44 S   O2Z  _O36    85     1.26308   116.30157   -85.33162
   46    44 S   O2Z  _O35    86     1.26518   114.47349    94.93545
   47    40 S   OH   _O37    87     1.43499   109.43514   164.32666
   48    47 S   HO   _H30    88     0.97234   107.52596   -65.97770
   49    42 S   CT1  _C8_    42     1.45552   123.03484   179.82086
   50    49 S   HC   _H3_    43     1.09553   108.75526    22.28739
   51    49 S   C    _C9_    44     1.53048   107.63638   -94.48642
   52    51 S   O    _O33    45     1.22930   123.24141   -26.55418
   53    49 S   CTD  _C7_    69     1.53458   111.69201   144.81232
   54    53 S   HC   _H13    70     1.09816   109.32639   176.08288
   55    53 S   HC   _H14    71     1.09895   108.85589    60.91864
   56    51 S   N    _N4_    46     1.38790   112.41315   155.38850
   57    56 S   H    _H15    47     1.01540   119.37809    -0.06853
   58    53 S   CT   _C5_    72     1.54236   114.58381   -61.01310
   59    58 S   HC   _H9_    73     1.09670   109.16825    58.29719
   60    56 S   CT   _C10    48     1.45244   122.87171  -178.26156
   61    60 S   HC   _H16    49     1.09474   107.56843  -161.25346
   62    60 S   HC   _H17    50     1.09547   108.22339   -44.43517
   63    58 S   CT   _C4_    74     1.52918   112.40339   -61.80311
   64    63 S   HC   _H6_    75     1.09520   111.24587   -55.99254
   65    63 S   HC   _H7_    76     1.09543   110.73707  -176.05027
   66    63 S   HC   _H8_    77     1.09391   111.43640    64.81905
   67    58 S   CT   _C6_    78     1.53100   109.72210   175.84654
   68    67 S   HC   _H10    79     1.09537   111.30654    61.92901
   69    67 S   HC   _H11    80     1.09521   110.82123  -177.82561
   70    67 S   HC   _H12    81     1.09516   110.81419   -58.36609
   71    60 S   CT   _C11    51     1.52901   112.12635    76.57817
   72    71 S   HC   _H18    52     1.09653   109.04914  -175.06974
   73    71 S   HC   _H19    53     1.09586   109.10753   -58.71216
   74    71 S   CT   _C12    54     1.53377   112.40765    63.78281
   75    74 S   HC   _H20    55     1.09355   109.85987   -50.27116
   76    74 S   HC   _H21    56     1.09651   109.31486    66.30346
   77    74 S   CT   _C13    57     1.52699   112.24571  -172.62070
   78    77 S   HC   _H22    58     1.09490   111.55779   179.85329
   79    77 S   HC   _H23    59     1.09570   109.82216   -61.67541
   80    77 S   NG   _N5_    60     1.47172   112.84368    57.54514
   81    80 S   H    _H24    61     1.02128   118.54052  -114.92501
   82    80 S   CG   _C14    62     1.38228   125.19479    62.87655
   83    82 S   NG   _N7_    63     1.37847   118.63994  -171.89097
   84    83 S   H    _H27    64     1.01945   120.19107     0.75485
   85    83 S   H    _H28    65     1.01679   121.54335   178.39917
   86    82 S   NG   _N6_    66     1.37696   122.24704     8.08925
   87    86 S   H    _H25    67     1.01849   120.53916  -174.09250
   88    86 S   H    _H26    68     1.01405   122.16666     4.36336
  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
  13   7   2   1   1  11   4   7   5  10   4   4   2   1   1   1
  13   7  11   4  13   5   4   8   4   9   8   9   5   4   7   3
   2   1   3   2   1   1   9   5   4   8   5   4   7   4   3   8
   3   6   5   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    40    41    44    45    46    47    48  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    51    53    40    41    44    47  
   42    43    49    40  
   41    44    45    46    47    48    42  
   44    45    46    47    48  
   43    49    50    51    52    56    53    54    55    58  
   49    50    51    53  
   45    46    47    48  
   46    47  
   47  
   48  
    0  
   50    51    52    56    57    60    53    54    55    58    59    63    67  
   51    52    56    53    54    55    58  
   52    56    57    60    61    62    71    53    54    55    58  
   56    57    60    53  
   54    55    58    59    63    64    65    66    67    68    69    70    56  
   55    58    59    63    67  
   58    59    63    67  
   57    60    61    62    71    72    73    74  
   60    61    62    71  
   59    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    70  
   61    62    71    72    73    74    75    76    77  
   62    71    72    73    74  
   71    72    73    74  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    86  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87    88  
   82    83    86  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86  
   86  
   87    88  
   88  
    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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.050000   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   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   81   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   82   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   83   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   84   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   87   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.460000   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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    43   434.000  1.010
   42    49   337.000  1.449
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   268.000  1.529
   51    52   570.000  1.229
   51    56   490.000  1.335
   56    57   434.000  1.010
   56    60   337.000  1.449
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   337.000  1.463
   80    81   434.000  1.010
   80    82   481.000  1.340
   82    83   481.000  1.340
   82    86   481.000  1.340
   83    84   434.000  1.010
   83    85   434.000  1.010
   86    87   434.000  1.010
   86    88   434.000  1.010
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    47   320.000  1.410
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    44    70.00000  109.69300
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  119.80000
   38    42    49    50.00000  121.90000
   42    38    39    80.00000  122.90000
   42    49    50    35.00000  109.50000
   42    49    51    63.00000  110.10000
   42    49    53    80.00000  109.70000
   49    42    43    38.00000  118.40000
   49    51    52    80.00000  120.40000
   49    51    56    70.00000  116.60000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    56    57    35.00000  119.80000
   51    56    60    50.00000  121.90000
   56    51    52    80.00000  122.90000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    71    70.00000  110.72300
   60    56    57    38.00000  118.40000
   60    71    72    37.50000  110.70000
   60    71    73    37.50000  110.70000
   60    71    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   71    60    61    37.50000  110.70000
   71    60    62    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    80.00000  111.20000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    35.00000  118.40000
   77    80    82    50.00000  123.20000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    70.00000  120.00000
   80    82    86    70.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  120.00000
   82    86    88    35.00000  120.00000
   85    83    84    35.00000  120.00000
   86    82    83    70.00000  120.00000
   88    86    87    35.00000  120.00000
   53    49    50    37.50000  110.70000
   53    49    51    63.00000  111.10000
   53    58    59    37.50000  110.70000
   53    58    63    58.35000  112.70000
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    70    37.50000  110.70000
   63    58    59    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    70.00000  117.00000
   40    44    46    70.00000  117.00000
   40    47    48    55.00000  108.50000
   44    40    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   47    40    41    35.00000  109.50000
   47    40    44    95.00000  109.52300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   2.45000 -1.0 2.0
   33    38    42    49   1.15000  1.0 1.0
   33    38    42    49   3.04450 -1.0 2.0
   33    40    44    45   0.41150 -1.0 2.0
   33    40    44    46   0.41150 -1.0 2.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44  -0.30950  1.0 1.0
   38    33    40    44   1.11150 -1.0 2.0
   38    33    40    44   0.40350  1.0 3.0
   38    33    40    47  -0.09450  1.0 1.0
   38    33    40    47  -1.12950 -1.0 2.0
   38    33    40    47   0.54000  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    51  -0.29800  1.0 1.0
   38    42    49    51   0.13950 -1.0 2.0
   38    42    49    51  -2.45650  1.0 3.0
   38    42    49    53   0.25950  1.0 1.0
   38    42    49    53   0.43850 -1.0 2.0
   38    42    49    53   2.61650  1.0 3.0
   39    38    42    43   2.45000 -1.0 2.0
   39    38    42    49   3.04450 -1.0 2.0
   42    49    51    52   0.00000  1.0 1.0
   42    49    51    56   0.37150  1.0 1.0
   42    49    51    56   1.25400 -1.0 2.0
   42    49    51    56  -0.40250  1.0 3.0
   42    49    53    54   0.23200  1.0 3.0
   42    49    53    55   0.23200  1.0 3.0
   42    49    53    58   0.26400  1.0 1.0
   42    49    53    58   0.16150 -1.0 2.0
   42    49    53    58   0.25850  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.00000  1.0 1.0
   43    42    49    53   0.00000  1.0 1.0
   49    51    56    57   2.45000 -1.0 2.0
   49    51    56    60   1.15000  1.0 1.0
   49    51    56    60   3.04450 -1.0 2.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    63   0.65000  1.0 1.0
   49    53    58    63  -0.02500 -1.0 2.0
   49    53    58    63   0.10000  1.0 3.0
   49    53    58    67   0.65000  1.0 1.0
   49    53    58    67  -0.02500 -1.0 2.0
   49    53    58    67   0.10000  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    54  -0.03800  1.0 3.0
   51    49    53    55  -0.03800  1.0 3.0
   51    49    53    58  -0.45800  1.0 1.0
   51    49    53    58   0.20550 -1.0 2.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    62   0.00000  1.0 1.0
   51    56    60    71  -0.43950  1.0 1.0
   51    56    60    71  -0.08100 -1.0 2.0
   51    56    60    71   0.03350  1.0 3.0
   52    51    56    57   2.45000 -1.0 2.0
   52    51    56    60   3.04450 -1.0 2.0
   56    60    71    72   0.15000  1.0 3.0
   56    60    71    73   0.15000  1.0 3.0
   56    60    71    74   0.43900  1.0 1.0
   56    60    71    74   0.49100 -1.0 2.0
   56    60    71    74   0.28400  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    71   0.00000  1.0 1.0
   60    71    74    75   0.15000  1.0 3.0
   60    71    74    76   0.15000  1.0 3.0
   60    71    74    77   0.56750  1.0 1.0
   60    71    74    77  -0.07550 -1.0 2.0
   60    71    74    77   0.20000  1.0 3.0
   61    60    71    72   0.15000  1.0 3.0
   61    60    71    73   0.15000  1.0 3.0
   61    60    71    74   0.15000  1.0 3.0
   62    60    71    72   0.15000  1.0 3.0
   62    60    71    73   0.15000  1.0 3.0
   62    60    71    74   0.15000  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80   1.34550  1.0 1.0
   71    74    77    80  -0.31050 -1.0 2.0
   71    74    77    80   0.95500  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81  -0.09500  1.0 1.0
   74    77    80    81  -0.20850 -1.0 2.0
   74    77    80    81   0.20900  1.0 3.0
   74    77    80    82   0.25550 -1.0 2.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80  -0.29100  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80  -0.29100  1.0 3.0
   77    80    82    83   3.96800 -1.0 2.0
   77    80    82    86   3.96800 -1.0 2.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.08850  1.0 3.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.08850  1.0 3.0
   80    82    83    84   1.50000 -1.0 2.0
   80    82    83    85   1.50000 -1.0 2.0
   80    82    86    87   1.50000 -1.0 2.0
   80    82    86    88   1.50000 -1.0 2.0
   81    80    82    83   1.50000 -1.0 2.0
   81    80    82    86   1.50000 -1.0 2.0
   83    82    86    87   1.50000 -1.0 2.0
   83    82    86    88   1.50000 -1.0 2.0
   86    82    83    84   1.50000 -1.0 2.0
   86    82    83    85   1.50000 -1.0 2.0
   53    49    51    52   0.00000  1.0 1.0
   53    49    51    56   0.93250  1.0 1.0
   53    49    51    56   0.04450 -1.0 2.0
   53    49    51    56   0.17550  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   53    58    63    66   0.15000  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   63    58    67    68   0.15000  1.0 3.0
   63    58    67    69   0.15000  1.0 3.0
   63    58    67    70   0.15000  1.0 3.0
   67    58    63    64   0.15000  1.0 3.0
   67    58    63    65   0.15000  1.0 3.0
   67    58    63    66   0.15000  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   1.39750  1.0 1.0
   40    33    38    42  -0.07950 -1.0 2.0
   40    33    38    42  -0.18750  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48   0.91850  1.0 1.0
   44    40    47    48   0.57950  1.0 3.0
   47    40    44    45   0.30150 -1.0 2.0
   47    40    44    46   0.30150 -1.0 2.0
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    42    38    39  10.50000 -1.0 2.0
   43    38    42    49   1.00000 -1.0 2.0
   49    56    51    52  10.50000 -1.0 2.0
   57    51    56    60   1.00000 -1.0 2.0
   81    82    80    77   1.00000 -1.0 2.0
   80    83    82    86  10.50000 -1.0 2.0
   85    82    83    84   1.00000 -1.0 2.0
   87    88    86    82   1.00000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
