* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    152    221     435
    1     0 S   NP   _N1_     1    29.27099    92.95394   -19.31385
    2     1 S   H    _HN1     2     1.03068   110.80837    23.84251
    3     1 S   H    _H1_     3     1.02830    35.18635   114.76392
    4     1 S   H    _H2_     4     1.02788    73.69200   -79.51049
    5     1 S   CT   _CA1     5     1.50104   133.51284   175.45179
    6     5 S   HC   _HA1     6     1.09575   105.33598    29.65848
    7     5 S   CO3  _C1_     7     1.53944   112.10014   -90.50699
    8     7 S   O2Z  _O11     8     1.26405   115.41301   -55.34194
    9     7 S   O2Z  _O12     9     1.26218   114.85927   123.82906
   10     5 S   CT   _CB1    10     1.52979   107.16531   147.29530
   11    10 S   HC   HB11    11     1.09825   109.72432   -51.01918
   12    10 S   HC   HB12    12     1.09636   110.14226    65.41529
   13    10 S   CT   _CG1    13     1.52906   113.07196  -172.54899
   14    13 S   HC   HG11    14     1.09570   110.41097   -51.65804
   15    13 S   HC   HG12    15     1.09565   110.45833    67.74026
   16    13 S   C    _CD1    16     1.51786   111.14666  -171.97202
   17    16 S   O    _OE1    17     1.22769   123.01023   -20.30742
   18    16 S   N    _N2_    18     1.38441   111.95487   159.81062
   19    18 S   H    _HN2    19     1.01584   119.19012     3.69565
   20    18 S   CT1  _CA2    20     1.46157   123.22678  -174.13125
   21    20 S   HC   _HA2    21     1.09716   109.51203   -14.42254
   22    20 S   C    _C2_    22     1.53336   108.39446  -130.44876
   23    22 S   O    _O2_    23     1.23006   122.27142  -145.17298
   24    20 S   CT   _CB2    32     1.53419   110.88379   107.46928
   25    24 S   HC   HB21    33     1.09629   109.59140    55.10964
   26    24 S   HC   HB22    34     1.09510   110.74209   173.87394
   27    22 S   N    _N3_    24     1.38518   113.31397    42.17512
   28    27 S   H    _HN3    25     1.01534   118.91064    -0.52152
   29    24 S   S    _SG2    35     1.82977   112.24057   -66.14995
   30    27 S   CT   _CA3    26     1.45445   123.39196   175.12223
   31    30 S   HC   HA31    27     1.09527   109.16738    25.65137
   32    30 S   HC   HA32    28     1.09494   107.13726   142.64375
   33    29 S   CT   _C13    36     1.82177    98.52513   158.40543
   34    33 S   HC   _H15    37     1.09544   108.08555    52.73442
   35    33 S   HC   _H16    38     1.09482   108.61400   -63.95228
   36    30 S   CO3  _C3_    29     1.52930   113.17402   -97.77803
   37    36 S   O2Z  _O31    30     1.26396   115.43185   -43.92636
   38    36 S   O2Z  _O32    31     1.26360   114.96599   137.02285
   39    33 S   CT   _C12    39     1.52924   112.68757   172.72997
   40    39 S   HC   _H13    40     1.09643   109.52203   -60.81504
   41    39 S   HC   _H14    41     1.09861   108.18784  -174.92333
   42    39 S   C5A  _C11    42     1.50419   115.11438    64.22289
   43    42 S   C5B  _C10    43     1.38276   129.77290  -117.17603
   44    43 S   N5P  _N4_    44     1.39783   112.42605  -175.04750
   45    43 S   CT   _C14    81     1.48390   128.02467     3.17798
   46    45 S   HC   _H17    82     1.09356   111.54307   133.23906
   47    45 S   HC   _H18    83     1.09436   110.51198  -105.33216
   48    45 S   HC   _H19    84     1.09391   111.65135    14.30114
   49    44 S   CRP  _C9_    45     1.33140   114.48816    -1.52007
   50    44 S   CT   _C15    64     1.47638   122.82901   174.72244
   51    50 S   HC   _H20    65     1.09600   108.60811   -32.25927
   52    50 S   HC   _H21    66     1.09477   109.18474  -146.94101
   53    42 S   SA   _S1_    46     1.71340   120.41134    65.31534
   54    49 S   CT   _C8_    47     1.50610   126.39057  -179.58129
   55    54 S   HC   _H4_    48     1.09594   108.49000    33.74773
   56    50 S   CA   _C16    67     1.50668   114.23289    90.70045
   57    54 S   CT   _C6_    49     1.55121   113.80741   -87.67720
   58    57 S   HC   _H3_    50     1.09754   108.68875    49.18936
   59    54 S   OH   _O33    62     1.42738   109.38742   148.75326
   60    59 S   HO   _H28    63     0.97685   107.53423   -67.00504
   61    56 S   CA   _C17    68     1.38605   123.82526     4.59696
   62    61 S   HA   _H22    69     1.08491   121.94811    -0.37898
   63    57 S   CT   _C7_    51     1.53711   108.87964   165.66939
   64    63 S   HC   _H10    52     1.09509   111.41461    68.32208
   65    63 S   HC   _H11    53     1.09418   111.38056  -170.75057
   66    63 S   HC   _H12    54     1.09554   110.83410   -52.03849
   67    57 S   CT   _C5_    55     1.54549   113.26043   -70.69796
   68    67 S   HC   _H8_    56     1.09427   109.52948    57.48711
   69    67 S   HC   _H9_    57     1.09632   110.51417   -60.14516
   70    61 S   NB   _N5_    70     1.34881   124.62376   179.72732
   71    67 S   CT   _C4_    58     1.52402   113.79623   177.19035
   72    71 S   HC   _H5_    59     1.09371   111.64820    68.44857
   73    71 S   HC   _H6_    60     1.09446   111.08618   -53.03284
   74    71 S   HC   _H7_    61     1.09498   109.94270  -172.51276
   75    70 S   CQ   _C18    71     1.34327   115.66787     1.38367
   76    75 S   NB   _N6_    72     1.34693   125.03598    -1.83835
   77    75 S   CT   _C20    77     1.49500   117.47924  -179.46918
   78    77 S   HC   _H25    78     1.09385   109.66933    90.45625
   79    77 S   HC   _H26    79     1.09424   110.62490  -149.46387
   80    77 S   HC   _H27    80     1.09438   110.66137   -29.52116
   81    56 S   CA   _C19    73     1.39716   121.18579  -176.12005
   82    81 S   NE   _N7_    74     1.39193   120.95129     2.01878
   83    82 S   H    _H23    75     1.01113   119.69961   -34.92156
   84    82 S   H    _H24    76     1.01363   115.75853   177.45101
  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
   8   5   4   2   1   1   8   4   3  10  12  16   6   2   1   1
  13  11   4   3   4  13   6   9  14   9   3   1   7   3   7   3
   2   1   6   5   4   7   3   2   1   1   7   8   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    53    45  
   41    42    43    53  
   42    43    53  
   43    44    49    53    54    50    45    46    47    48  
   44    49    53    54    50    51    52    56    45    46    47    48  
   49    53    54    55    57    59    50    51    52    56    61    81    45    46    47    48  
   46    47    48    49    50    53  
   47    48  
   48  
    0  
   53    54    55    57    58    63    67    59    60    50    51    52    56  
   51    52    56    61    62    70    76    81    82    53    54  
   52    56    61    81  
   56    61    81  
   54    55    57    59  
   55    57    58    63    64    65    66    67    68    69    71    59    60  
   57    58    63    67    59    60  
   61    62    70    75    76    81    82    83    84  
   58    63    64    65    66    67    68    69    71    72    73    74    59    60  
   63    64    65    66    67    68    69    71    59  
   60    63    67  
    0  
   62    70    75    76    81    82    77  
   70    75    81  
   64    65    66    67    68    69    71  
   65    66    67  
   66    67  
   67  
   68    69    71    72    73    74  
   69    71    72    73    74  
   71    72    73    74  
   75    76    81    77    78    79    80  
   72    73    74  
   73    74  
   74  
    0  
   76    81    82    77    78    79    80  
   81    82    83    84    77    78    79    80  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.017400   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.028100   2.0020   1.7750   0.001000000  -0.843144165
   44   3.2500   0.1700   0.193300   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.068800   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.117500   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   3.5600   0.3950   0.315900   2.0080   1.7800   0.025682759  -1.666211680
   54   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   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  -0.120000   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   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   77   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   83   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   295.000  1.489
   42    43   520.000  1.370
   42    53   265.000  1.745
   43    44   420.000  1.386
   43    45   295.000  1.494
   44    49   520.000  1.338
   44    50   300.000  1.456
   49    53   260.000  1.741
   49    54   290.000  1.488
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    59   320.000  1.410
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    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    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    61   469.000  1.400
   56    81   469.000  1.400
   61    62   367.000  1.080
   61    70   483.000  1.339
   70    75   502.000  1.324
   75    76   502.000  1.324
   75    77   317.000  1.510
   76    81   483.000  1.339
   81    82   481.000  1.340
   82    83   434.000  1.010
   82    84   434.000  1.010
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  113.44400
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    55.00000  130.44200
   39    42    53    65.00000  123.52500
   41    39    40    33.00000  107.80000
   42    39    40    45.00000  110.47400
   42    39    41    45.00000  110.47400
   42    43    44    85.00000  109.61400
   42    43    45    55.00000  127.77900
   42    53    49   110.00000   90.05000
   43    44    49    80.00000  112.70000
   43    44    50    65.00000  125.09000
   43    45    46    45.00000  111.11700
   43    45    47    45.00000  111.11700
   43    45    48    45.00000  111.11700
   44    49    53    85.00000  110.81000
   44    49    54    60.00000  125.91000
   44    50    51    50.00000  107.70000
   44    50    52    50.00000  107.70000
   44    50    56    75.00000  110.34000
   49    54    55    45.00000  106.72000
   49    54    57    70.00000  112.17500
   49    54    59   105.00000   99.42000
   53    42    43    80.00000  111.29200
   54    49    53    60.00000  130.00000
   54    57    58    37.50000  110.70000
   54    57    63    58.35000  112.70000
   54    57    67    58.35000  112.70000
   54    59    60    55.00000  108.50000
   57    54    55    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    37.50000  110.70000
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    67    71    58.35000  112.70000
   63    57    58    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    57    58    37.50000  110.70000
   67    57    63    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    57    50.00000  109.50000
   50    44    49    65.00000  121.70000
   50    56    61    70.00000  120.00000
   50    56    81    70.00000  120.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    61    62    35.00000  120.00000
   56    61    70    70.00000  124.00000
   56    81    76    70.00000  124.00000
   56    81    82    70.00000  120.10000
   61    70    75    70.00000  118.60000
   70    61    62    35.00000  116.00000
   70    75    76    70.00000  129.10000
   70    75    77    75.00000  115.74700
   75    76    81    70.00000  118.60000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   76    81    82    80.00000  117.25000
   81    56    61    63.00000  120.00000
   81    82    83    35.00000  113.50000
   81    82    84    35.00000  113.50000
   84    82    83    35.00000  109.00000
   77    75    76    75.00000  115.74700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   45    43    44    60.00000  130.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.04150 -1.0 2.0
   33    39    42    53  -1.00500  1.0 1.0
   33    39    42    53  -0.91300 -1.0 2.0
   33    39    42    53   0.11400  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    53    49   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    53   0.00000  1.0 1.0
   42    43   -44    49   3.62500 -1.0 2.0
   42    43    44    50   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    42   -53    49   3.62500 -1.0 2.0
   43    44   -49    53   3.62500 -1.0 2.0
   43    44    49    54   3.62500 -1.0 2.0
   43    44    50    51   0.00000  1.0 1.0
   43    44    50    52   0.00000  1.0 1.0
   43    44    50    56   0.68100  1.0 1.0
   43    44    50    56   0.03350 -1.0 2.0
   43    44    50    56   0.36200  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49   -53    42   3.62500 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    57   0.39850  1.0 1.0
   44    49    54    57   0.06450 -1.0 2.0
   44    49    54    57   0.32400  1.0 3.0
   44    49    54    59   0.04300 -1.0 2.0
   44    50    56    61   0.04300 -1.0 2.0
   44    50    56    81   0.04300 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    56   0.68100  1.0 1.0
   49    44    50    56   0.03350 -1.0 2.0
   49    44    50    56   0.36200  1.0 3.0
   49    54    57    58   0.43200  1.0 3.0
   49    54    57    63  -0.03700  1.0 1.0
   49    54    57    63   0.37200 -1.0 2.0
   49    54    57    63  -0.47300  1.0 3.0
   49    54    57    67  -0.03700  1.0 1.0
   49    54    57    67   0.37200 -1.0 2.0
   49    54    57    67  -0.47300  1.0 3.0
   49    54    59    60   0.31900  1.0 1.0
   49    54    59    60  -0.11800 -1.0 2.0
   49    54    59    60   0.38750  1.0 3.0
   53    42   -43    44   3.62500 -1.0 2.0
   53    42    43    45   3.62500 -1.0 2.0
   53    49    54    55   0.00000  1.0 1.0
   53    49    54    57  -1.00500  1.0 1.0
   53    49    54    57  -0.91300 -1.0 2.0
   53    49    54    57   0.11400  1.0 3.0
   53    49    54    59   0.04300 -1.0 2.0
   54    49    53    42   3.62500 -1.0 2.0
   54    57    63    64   0.15000  1.0 3.0
   54    57    63    65   0.15000  1.0 3.0
   54    57    63    66   0.15000  1.0 3.0
   54    57    67    68   0.15000  1.0 3.0
   54    57    67    69   0.15000  1.0 3.0
   54    57    67    71   0.56750  1.0 1.0
   54    57    67    71  -0.07550 -1.0 2.0
   54    57    67    71   0.20000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    63   0.15000  1.0 3.0
   55    54    57    67   0.15000  1.0 3.0
   55    54    59    60   0.19450  1.0 3.0
   57    54    59    60  -0.11600  1.0 1.0
   57    54    59    60  -0.09450 -1.0 2.0
   57    54    59    60   0.21250  1.0 3.0
   57    67    71    72   0.15000  1.0 3.0
   57    67    71    73   0.15000  1.0 3.0
   57    67    71    74   0.15000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    66   0.15000  1.0 3.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    69   0.15000  1.0 3.0
   58    57    67    71   0.15000  1.0 3.0
   63    57    67    68   0.15000  1.0 3.0
   63    57    67    69   0.15000  1.0 3.0
   63    57    67    71   0.56750  1.0 1.0
   63    57    67    71  -0.07550 -1.0 2.0
   63    57    67    71   0.20000  1.0 3.0
   67    57    63    64   0.15000  1.0 3.0
   67    57    63    65   0.15000  1.0 3.0
   67    57    63    66   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    74   0.15000  1.0 3.0
   59    54    57    58   0.23400  1.0 3.0
   59    54    57    63   0.86500  1.0 1.0
   59    54    57    63  -0.17500 -1.0 2.0
   59    54    57    63   0.20800  1.0 3.0
   59    54    57    67   0.86500  1.0 1.0
   59    54    57    67  -0.17500 -1.0 2.0
   59    54    57    67   0.20800  1.0 3.0
   50    44    49    53   3.62500 -1.0 2.0
   50    44    49    54   3.62500 -1.0 2.0
   50    56    61    62   3.62500 -1.0 2.0
   50    56    61    70   3.62500 -1.0 2.0
   50    56    81    76   3.62500 -1.0 2.0
   50    56    81    82   3.62500 -1.0 2.0
   51    50    56    61   0.00000  1.0 1.0
   51    50    56    81   0.00000  1.0 1.0
   52    50    56    61   0.00000  1.0 1.0
   52    50    56    81   0.00000  1.0 1.0
   56    61    70    75   3.62500 -1.0 2.0
   56    81    82    83   1.00000 -1.0 2.0
   56    81    82    84   1.00000 -1.0 2.0
   61    56    81    76   3.62500 -1.0 2.0
   61    56    81    82   3.62500 -1.0 2.0
   61    70   -75    76   3.62500 -1.0 2.0
   61    70    75    77   3.62500 -1.0 2.0
   62    61    70    75   3.62500 -1.0 2.0
   70    75    76    81   3.62500 -1.0 2.0
   70    75    77    78   0.00000  1.0 1.0
   70    75    77    79   0.00000  1.0 1.0
   70    75    77    80   0.00000  1.0 1.0
   75    76   -81    56   3.62500 -1.0 2.0
   75    76    81    82   3.62500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.00000  1.0 1.0
   76    81    82    83   1.75000 -1.0 2.0
   76    81    82    84   1.75000 -1.0 2.0
   81    56    61    62   3.62500 -1.0 2.0
   81    56   -61    70   3.62500 -1.0 2.0
   77    75    76    81   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    50   3.62500 -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
   37    30    36    38  10.50000 -1.0 2.0
   43    53    42    39   4.00000 -1.0 2.0
   45    44    43    42   4.00000 -1.0 2.0
   49    50    44    43   4.00000 -1.0 2.0
   54    53    49    44   4.00000 -1.0 2.0
   61    81    56    50   4.00000 -1.0 2.0
   70    62    61    56   1.10000 -1.0 2.0
   77    76    75    70   4.00000 -1.0 2.0
   76    82    81    56   4.00000 -1.0 2.0
   84    81    82    83   1.00000 -1.0 2.0
END
