* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    171    270     504
    1     0 S   NP   _N1_     1    28.71583    94.22217   -20.04260
    2     1 S   H    _HN1     2     1.02804    83.04094   -80.29149
    3     1 S   H    _H1_     3     1.02960    96.77100    27.28201
    4     1 S   H    _H2_     4     1.02848    32.03364   138.99423
    5     1 S   CT   _CA1     5     1.50082   141.17018   162.74316
    6     5 S   HC   _HA1     6     1.09572   105.31010    46.24447
    7     5 S   CO3  _C1_     7     1.53791   112.20735   -74.08230
    8     7 S   O2Z  _O11     8     1.26361   115.24732   -50.81630
    9     7 S   O2Z  _O12     9     1.26253   115.03351   128.60437
   10     5 S   CT   _CB1    10     1.53111   107.41827   164.10837
   11    10 S   HC   HB11    11     1.09824   109.54505   -50.52639
   12    10 S   HC   HB12    12     1.09827   110.31681    66.00505
   13    10 S   CT   _CG1    13     1.53052   112.66104  -171.61199
   14    13 S   HC   HG11    14     1.09612   110.37095   -58.49776
   15    13 S   HC   HG12    15     1.09617   110.15463    60.74300
   16    13 S   C    _CD1    16     1.51830   112.06004  -178.80286
   17    16 S   O    _OE1    17     1.22731   123.17645    -8.44920
   18    16 S   N    _N2_    18     1.38619   111.75018   171.40116
   19    18 S   H    _HN2    19     1.01579   119.09845     3.04144
   20    18 S   CT1  _CA2    20     1.46338   123.32151  -175.54196
   21    20 S   HC   _HA2    21     1.09728   109.36994   -14.13518
   22    20 S   C    _C2_    22     1.53338   108.45486  -130.05007
   23    22 S   O    _O2_    23     1.23004   122.23793  -145.55737
   24    20 S   CT   _CB2    32     1.53552   111.12440   107.76012
   25    24 S   HC   HB21    33     1.09546   109.38278    56.65909
   26    24 S   HC   HB22    34     1.09501   110.80728   175.37941
   27    22 S   N    _N3_    24     1.38507   113.32912    41.78691
   28    27 S   H    _HN3    25     1.01528   118.92538    -0.45885
   29    24 S   S    _SG2    35     1.82655   111.49507   -64.73168
   30    27 S   CT   _CA3    26     1.45453   123.41417   175.07355
   31    30 S   HC   HA31    27     1.09526   109.19736    24.99814
   32    30 S   HC   HA32    28     1.09494   107.12559   142.00770
   33    29 S   CT   _C16    36     1.82869    99.47945   158.29933
   34    33 S   F    F1__    37     1.36580   108.86682   -50.29116
   35    33 S   F    F2__    38     1.36433   108.44927    63.55650
   36    30 S   CO3  _C3_    29     1.52936   113.16947   -98.44514
   37    36 S   O2Z  _O31    30     1.26400   115.43546   -43.35032
   38    36 S   O2Z  _O32    31     1.26361   114.95993   137.59186
   39    33 S   CA   _C12    39     1.50993   110.11207  -172.61021
   40    39 S   CA   _C13    40     1.38938   121.21602   -98.83612
   41    40 S   HA   _H8_    41     1.08667   120.92366    -0.40007
   42    40 S   CA   _C14    42     1.39095   119.58345   179.58410
   43    42 S   HA   _H9_    43     1.08889   118.14842   179.96044
   44    42 S   CA   _C15    44     1.40905   121.25625    -0.31027
   45    44 S   CA   _C10    45     1.40660   121.00414    -0.37220
   46    44 S   S    _S1_    59     1.77548   115.62450  -178.90300
   47    39 S   CA   _C11    46     1.40827   119.99038    80.31146
   48    47 S   HA   _H7_    47     1.08700   115.84346     1.40611
   49    45 S   NE   _N4_    48     1.42662   121.63876  -179.88465
   50    49 S   CA   _C8_    49     1.42485   125.61177   -11.40890
   51    49 S   CT   _C17    60     1.48381   117.00222   166.98562
   52    51 S   HC   _H10    61     1.09785   110.64877   -33.63676
   53    51 S   HC   _H11    62     1.09753   111.38554  -146.26784
   54    50 S   CA   _C9_    50     1.41470   122.44534  -168.04876
   55    54 S   HA   _H6_    51     1.08575   121.83652     0.11869
   56    51 S   CT   _C18    63     1.53751   111.64054    89.96184
   57    56 S   HC   _H12    64     1.09559   110.34516    66.50159
   58    56 S   HC   _H13    65     1.09386   109.87351   -49.88696
   59    54 S   CA   _C4_    52     1.39932   122.61602   179.33265
   60    59 S   HA   _H3_    53     1.08639   119.89584  -179.90721
   61    56 S   CT   _C19    66     1.52591   110.51846  -171.85433
   62    61 S   HC   _H14    67     1.09516   109.61742   -58.03241
   63    61 S   HC   _H15    68     1.09523   112.09460    63.85098
   64    59 S   CA   _C5_    54     1.38361   119.99740    -0.05935
   65    64 S   HA   _H4_    55     1.08553   120.46819   179.95154
   66    61 S   NP   _N5_    69     1.51589   111.04190  -175.72657
   67    66 S   H    _H16    70     1.02898   107.28407    48.02042
   68    64 S   CA   _C6_    56     1.38896   119.16396    -0.00000
   69    68 S   HA   _H5_    57     1.08864   118.26212   179.76427
   70    66 S   CT   _C20    71     1.51221   113.68600   -71.17254
   71    70 S   HC   _H17    72     1.09291   108.06388    59.00076
   72    70 S   HC   _H18    73     1.09601   107.83366   -59.45347
   73    50 S   CA   _C7_    58     1.40926   121.46053    11.01662
   74    70 S   CT   _C21    74     1.52820   109.47203   178.41674
   75    74 S   HC   _H19    75     1.09687   107.65995   178.25549
   76    74 S   HC   _H20    76     1.09839   109.56778   -65.50853
   77    74 S   NTH0 _N6_    77     1.47221   111.99005    57.66802
   78    77 S   CT   _C22    78     1.47129   110.14476   -57.84675
   79    78 S   HC   _H21    79     1.09806   110.72994   -64.70666
   80    78 S   HC   _H22    80     1.09503   110.35572   176.64089
   81    77 S   CT   _C24    84     1.47207   109.90093   178.17715
   82    81 S   HC   _H25    85     1.09835   111.38501    67.26595
   83    81 S   HC   _H26    86     1.09865   109.40127   -48.96065
   84    66 S   CT   _C23    81     1.51483   110.80756   164.48201
   85    84 S   HC   _H23    82     1.09576   107.69114    61.65377
   86    84 S   HC   _H24    83     1.09502   107.46395   -56.50665
   87    81 S   CT   _C25    87     1.52850   113.42291  -168.29831
   88    87 S   HC   _H27    88     1.09496   110.90750    54.46552
   89    87 S   HC   _H28    89     1.09356   111.82868   -67.63791
   90    87 S   OH   _O33    90     1.42347   108.70631   173.41936
   91    90 S   HO   _H29    91     0.97255   107.03251  -179.09475
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   7   3   9  11   8   4   1
  13  12  11   5   4   7   4   9   5   4   6   3  12   5   4   4
   3  14   8   2   1  11   6   5   1  11   4   3  13   9   5   4
   8   5   4   2   1   1   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    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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49  
   41    42    43    44    45    47    48    46  
   42    43    44    47  
   43    44    45    47    49    73    46  
   44    45    46  
   45    47    48    49    50    68    73    46    51  
   47    48    49    50    54    73    46    51    52    53    56  
   47    49    50    54    64    68    69    73  
   48    49    50    51  
   49  
   50    54    55    59    68    73    51    52    53    56    57    58    61  
   54    55    59    60    64    68    69    73    51    52    53    56  
   52    53    56    57    58    61    62    63    66    54    73  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    68    73  
   59    60    64    73  
   57    58    61    62    63    66    67    70    84  
   58    61    62    63    66  
   61    62    63    66  
   60    64    65    68    69    73  
   64    65    68  
   62    63    66    67    70    71    72    74    78    84    85    86  
   63    66    67    70    84  
   66    67    70    84  
   65    68    69    73  
   68    69    73  
   67    70    71    72    74    75    76    77    78    79    80    84    85    86  
   70    71    72    74    78    84    85    86  
   69    73  
   73  
   71    72    74    75    76    77    78    84    85    86    81  
   72    74    75    76    77    84  
   74    75    76    77    84  
    0  
   75    76    77    78    79    80    84    81    82    83    87  
   76    77    78    81  
   77    78    81  
   78    79    80    84    85    86    81    82    83    87    88    89    90  
   79    80    84    85    86    81    82    83    87  
   80    84    85    86    81  
   84    85    86    81  
   82    83    87    88    89    90    91    84  
   83    87    88    89    90  
   87    88    89    90  
   85    86  
   86  
    0  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.6000   0.3550  -0.305000   2.0300   1.8000   0.025682759  -1.666211680
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   67   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   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    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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    46   250.000  1.760
   45    47   469.000  1.400
   45    49   481.000  1.340
   47    48   367.000  1.080
   49    50   481.000  1.340
   49    51   382.000  1.448
   50    54   469.000  1.400
   50    73   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    46   250.000  1.760
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   367.000  1.471
   66    67   434.000  1.010
   66    70   367.000  1.471
   66    84   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   310.000  1.447
   77    78   310.000  1.447
   77    81   310.000  1.447
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   320.000  1.410
   90    91   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    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    45    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    46    85.00000  119.40000
   44    42    43    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    45    49    70.00000  120.10000
   44    46    73    90.00000  100.00000
   45    47    48    35.00000  120.00000
   45    49    50    50.00000  129.00000
   45    49    51    50.00000  120.00000
   47    39    40    63.00000  120.00000
   49    45    47    70.00000  120.10000
   49    50    54    70.00000  120.10000
   49    50    73    70.00000  120.10000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    56    80.00000  111.61500
   50    54    55    35.00000  120.00000
   50    54    59    63.00000  120.00000
   50    73    68    63.00000  120.00000
   50    73    46    85.00000  119.40000
   54    59    60    35.00000  120.00000
   54    59    64    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    68    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    73    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    73    46    85.00000  119.40000
   73    50    54    63.00000  120.00000
   73    68    69    35.00000  120.00000
   46    44    45    85.00000  119.40000
   51    49    50    50.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    66    80.00000  111.20000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    66    67    35.00000  109.50000
   61    66    70    75.00000  113.01200
   61    66    84    75.00000  113.01200
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    74    80.00000  111.20000
   66    84    78    80.00000  111.20000
   66    84    85    35.00000  109.50000
   66    84    86    35.00000  109.50000
   70    66    67    35.00000  109.50000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    75.00000  113.73300
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    77    78    80.00000  110.40700
   74    77    81    80.00000  110.40700
   76    74    75    33.00000  107.80000
   77    74    75    50.00000  110.15500
   77    74    76    50.00000  110.15500
   77    78    79    50.00000  110.15500
   77    78    80    50.00000  110.15500
   77    78    84    75.00000  113.73300
   77    81    82    50.00000  110.15500
   77    81    83    50.00000  110.15500
   77    81    87    75.00000  113.73300
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   80    78    79    33.00000  107.80000
   84    66    67    35.00000  109.50000
   84    66    70    75.00000  113.01200
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   86    84    85    33.00000  107.80000
   81    77    78    80.00000  110.40700
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    50.00000  109.50000
   83    81    82    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    37.50000  110.70000
   87    90    91    55.00000  108.50000
   89    87    88    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    45   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    45   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    46    73   0.25000 -1.0 2.0
   42    44    46    73   0.25000 -1.0 4.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -47    39   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    49    50   0.17750 -1.0 2.0
   44    45    49    51  -1.00000  1.0 1.0
   44    45    49    51   1.25000 -1.0 2.0
   45    44    46    73   0.25000 -1.0 2.0
   45    44    46    73   0.25000 -1.0 4.0
   45    49    50    54   0.17750 -1.0 2.0
   45    49   -50    73   0.17750 -1.0 2.0
   45    49    51    52   0.00000  1.0 1.0
   45    49    51    53   0.00000  1.0 1.0
   45    49    51    56  -0.12500  1.0 1.0
   45    49    51    56  -0.12500 -1.0 2.0
   45    49    51    56   0.25000  1.0 3.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    45    49    50   0.17750 -1.0 2.0
   47    45    49    51  -1.00000  1.0 1.0
   47    45    49    51   1.25000 -1.0 2.0
   49    45    47    39   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    59   3.62500 -1.0 2.0
   49    50    73    68   3.62500 -1.0 2.0
   49    50    73    46   3.62500 -1.0 2.0
   49    51    56    57   0.22950  1.0 3.0
   49    51    56    58   0.22950  1.0 3.0
   49    51    56    61   1.26750  1.0 1.0
   49    51    56    61  -0.00950 -1.0 2.0
   49    51    56    61   0.30600  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    56  -0.12500  1.0 1.0
   50    49    51    56  -0.12500 -1.0 2.0
   50    49    51    56   0.25000  1.0 3.0
   50    54    59    60   3.62500 -1.0 2.0
   50    54    59    64   3.62500 -1.0 2.0
   50    73   -46    44   0.25000 -1.0 2.0
   50    73   -46    44   0.25000 -1.0 4.0
   54    50    73    68   3.62500 -1.0 2.0
   54    50    73    46   3.62500 -1.0 2.0
   54    59    64    65   3.62500 -1.0 2.0
   54    59   -64    68   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    64    68    69   3.62500 -1.0 2.0
   59    64    68    73   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    68   3.62500 -1.0 2.0
   64    68   -73    50   3.62500 -1.0 2.0
   64    68    73    46   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    73   3.62500 -1.0 2.0
   68    73    46    44   0.25000 -1.0 2.0
   68    73    46    44   0.25000 -1.0 4.0
   69    68    73    50   3.62500 -1.0 2.0
   69    68    73    46   3.62500 -1.0 2.0
   73    50    54    55   3.62500 -1.0 2.0
   73    50   -54    59   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44   -45    49   3.62500 -1.0 2.0
   51    49    50    54  -1.00000  1.0 1.0
   51    49    50    54   1.25000 -1.0 2.0
   51    49    50    73  -1.00000  1.0 1.0
   51    49    50    73   1.25000 -1.0 2.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    66   1.36600  1.0 1.0
   51    56    61    66  -0.11450 -1.0 2.0
   51    56    61    66   0.24250  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    66    67   0.17350  1.0 3.0
   56    61    66    70   0.47100  1.0 1.0
   56    61    66    84   0.47100  1.0 1.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    66   0.19200  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    66   0.19200  1.0 3.0
   61    66    70    71   0.15000  1.0 3.0
   61    66    70    72   0.15000  1.0 3.0
   61    66    70    74   0.47100  1.0 1.0
   61    66    84    78   0.47100  1.0 1.0
   61    66    84    85   0.15000  1.0 3.0
   61    66    84    86   0.15000  1.0 3.0
   62    61    66    67   0.13050  1.0 3.0
   62    61    66    70   0.15000  1.0 3.0
   62    61    66    84   0.15000  1.0 3.0
   63    61    66    67   0.13050  1.0 3.0
   63    61    66    70   0.15000  1.0 3.0
   63    61    66    84   0.15000  1.0 3.0
   66    70    74    75   0.19200  1.0 3.0
   66    70    74    76   0.19200  1.0 3.0
   66    70    74    77   0.99100  1.0 1.0
   66    70    74    77  -1.80900 -1.0 2.0
   67    66    70    71   0.13050  1.0 3.0
   67    66    70    72   0.13050  1.0 3.0
   67    66    70    74   0.17350  1.0 3.0
   67    66    84    78   0.17350  1.0 3.0
   67    66    84    85   0.13050  1.0 3.0
   67    66    84    86   0.13050  1.0 3.0
   70    66    84    78   0.47100  1.0 1.0
   70    66    84    85   0.15000  1.0 3.0
   70    66    84    86   0.15000  1.0 3.0
   70    74   -77    78   1.99000  1.0 1.0
   70    74   -77    78   0.18800 -1.0 2.0
   70    74   -77    78   0.81350  1.0 3.0
   70    74    77    81   0.58650  1.0 1.0
   70    74    77    81   0.12600 -1.0 2.0
   70    74    77    81   0.33350  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    77   0.15000  1.0 3.0
   74    77    78    79   0.28000  1.0 3.0
   74    77    78    80   0.28000  1.0 3.0
   74    77    78    84   1.99000  1.0 1.0
   74    77    78    84   0.18800 -1.0 2.0
   74    77    78    84   0.81350  1.0 3.0
   74    77    81    82   0.28000  1.0 3.0
   74    77    81    83   0.28000  1.0 3.0
   74    77    81    87   1.99000  1.0 1.0
   74    77    81    87   0.18800 -1.0 2.0
   74    77    81    87   0.81350  1.0 3.0
   75    74    77    78   0.28000  1.0 3.0
   75    74    77    81   0.28000  1.0 3.0
   76    74    77    78   0.28000  1.0 3.0
   76    74    77    81   0.28000  1.0 3.0
   77    78   -84    66   0.99100  1.0 1.0
   77    78   -84    66  -1.80900 -1.0 2.0
   77    78    84    85   0.15000  1.0 3.0
   77    78    84    86   0.15000  1.0 3.0
   77    81    87    88   0.15000  1.0 3.0
   77    81    87    89   0.15000  1.0 3.0
   77    81    87    90   3.18500  1.0 1.0
   78    77    81    82   0.28000  1.0 3.0
   78    77    81    83   0.28000  1.0 3.0
   78    77    81    87   1.99000  1.0 1.0
   78    77    81    87   0.18800 -1.0 2.0
   78    77    81    87   0.81350  1.0 3.0
   79    78    84    66   0.19200  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   80    78    84    66   0.19200  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   84    66    70    71   0.15000  1.0 3.0
   84    66    70    72   0.15000  1.0 3.0
   84    66   -70    74   0.47100  1.0 1.0
   81    77    78    79   0.28000  1.0 3.0
   81    77    78    80   0.28000  1.0 3.0
   81    77    78    84   0.58650  1.0 1.0
   81    77    78    84   0.12600 -1.0 2.0
   81    77    78    84   0.33350  1.0 3.0
   81    87    90    91  -0.11600  1.0 1.0
   81    87    90    91  -0.09450 -1.0 2.0
   81    87    90    91   0.21250  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.23400  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.23400  1.0 3.0
   88    87    90    91   0.19450  1.0 3.0
   89    87    90    91   0.19450  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
   37    30    36    38  10.50000 -1.0 2.0
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   45    48    47    39   1.10000 -1.0 2.0
   51    45    49    50   1.00000 -1.0 2.0
   54    73    50    49   4.00000 -1.0 2.0
   59    55    54    50   1.10000 -1.0 2.0
   64    60    59    54   1.10000 -1.0 2.0
   68    65    64    59   1.10000 -1.0 2.0
   73    69    68    64   1.10000 -1.0 2.0
   68    46    73    50   4.00000 -1.0 2.0
END
