* LIGAND DATABASE FILE (OPLS2005)
*
001      94    93    158    224     451
    1     0 S   NP   _N1_     1    28.78408    92.54028   -22.80988
    2     1 S   H    _HN1     2     1.02781    97.46715  -103.49516
    3     1 S   H    _H1_     3     1.02953   103.59921     7.48810
    4     1 S   H    _H2_     4     1.02830    13.32932   114.34517
    5     1 S   CT   _CA1     5     1.50107   123.41101   133.60986
    6     5 S   HC   _HA1     6     1.09568   105.25419    54.59469
    7     5 S   CO3  _C1_     7     1.53829   112.34418   -65.73559
    8     7 S   O2Z  _O11     8     1.26373   115.03111   -44.18106
    9     7 S   O2Z  _O12     9     1.26231   114.98284   135.05803
   10     5 S   CT   _CB1    10     1.53099   107.42504   172.63172
   11    10 S   HC   HB11    11     1.09823   109.53969   -49.24585
   12    10 S   HC   HB12    12     1.09820   110.36203    67.39464
   13    10 S   CT   _CG1    13     1.52967   112.56672  -170.25111
   14    13 S   HC   HG11    14     1.09576   110.47545   -61.31618
   15    13 S   HC   HG12    15     1.09649   109.99220    57.88151
   16    13 S   C    _CD1    16     1.51793   112.32349   178.35456
   17    16 S   O    _OE1    17     1.22718   123.33737    -2.56017
   18    16 S   N    _N2_    18     1.38592   111.54261   177.33186
   19    18 S   H    _HN2    19     1.01601   118.96556     2.15677
   20    18 S   CT1  _CA2    20     1.46230   123.47810  -178.49078
   21    20 S   HC   _HA2    21     1.09700   109.51346    -7.31523
   22    20 S   C    _C2_    22     1.53391   108.52415  -123.40249
   23    22 S   O    _O2_    23     1.23056   122.29853  -148.61606
   24    20 S   CT   _CB2    32     1.53345   111.15043   114.84834
   25    24 S   HC   HB21    33     1.09572   109.12953    57.36370
   26    24 S   HC   HB22    34     1.09468   110.55419   176.13137
   27    22 S   N    _N3_    24     1.38333   113.65399    38.61004
   28    27 S   H    _HN3    25     1.01638   119.55888    -3.42463
   29    24 S   S    _SG2    35     1.82761   111.81314   -63.69905
   30    27 S   CT   _CA3    26     1.45232   122.91994   178.43202
   31    30 S   HC   HA31    27     1.09550   107.80583   -59.14190
   32    30 S   HC   HA32    28     1.09525   107.53654    57.26786
   33    29 S   CT   _C17    36     1.84426    99.78552   160.30484
   34    33 S   HC   _H3_    37     1.09292   107.64310   -27.50503
   35    30 S   CO3  _C3_    29     1.52846   114.32324   178.65346
   36    35 S   O2Z  _O31    30     1.26349   116.07643    -2.52894
   37    35 S   O2Z  _O32    31     1.26440   114.36222   177.63769
   38    33 S   CM   _C15    38     1.52504   109.29342    92.50605
   39    33 S   CT   _C18    85     1.53922   109.32442  -142.70559
   40    39 S   HC   _H20    86     1.09708   110.68452  -172.89218
   41    39 S   HC   _H21    87     1.09745   111.13743   -54.25987
   42    38 S   CM   _C14    39     1.35069   124.80495  -101.99049
   43    42 S   HC   _H16    40     1.08996   117.94959  -179.20426
   44    38 S   CT   _C16    81     1.51334   116.82676    78.53577
   45    44 S   HC   _H17    82     1.09437   110.92885   -53.78311
   46    44 S   HC   _H18    83     1.09449   110.61620    66.93445
   47    44 S   HC   _H19    84     1.09562   112.29725  -173.37735
   48    39 S   CO4  _C19    88     1.51472   111.90463    68.40632
   49    48 S   O    _O33    89     1.22435   124.17683    47.74484
   50    42 S   CM   _C13    41     1.44787   127.52942     2.41711
   51    50 S   HC   _H15    42     1.08456   118.28213    -0.10835
   52    48 S   OS   _O34    90     1.36352   109.97355  -132.79475
   53    50 S   CM   _C12    43     1.34316   122.95233   178.72497
   54    53 S   HC   _H14    44     1.08821   120.24947     2.67225
   55    52 S   CT   _C20    91     1.43106   115.24837   178.76552
   56    55 S   HC   _H22    92     1.09318   108.10514  -176.98962
   57    55 S   HC   _H23    93     1.09408   110.15030    64.31749
   58    55 S   HC   _H24    94     1.09400   110.36563   -58.22540
   59    53 S   CM   _C10    45     1.46021   124.29443  -178.26946
   60    59 S   CM   _C9_    46     1.34878   120.52659    52.01704
   61    60 S   HC   _H10    47     1.09088   118.25805    -0.32984
   62    59 S   CT   _C11    77     1.50498   113.25285  -130.29188
   63    62 S   HC   _H11    78     1.09595   110.22928    60.45203
   64    62 S   HC   _H12    79     1.09207   113.64064  -179.41516
   65    62 S   HC   _H13    80     1.09592   110.47154   -59.11892
   66    60 S   CM   _C8_    48     1.44897   127.33389   179.21715
   67    66 S   HC   _H9_    49     1.08502   118.16233     2.64501
   68    66 S   CM   _C7_    50     1.34360   122.54434  -177.40640
   69    68 S   HC   _H8_    51     1.08493   118.95785     0.05935
   70    68 S   CM   _C6_    52     1.44984   122.85960  -179.65736
   71    70 S   HC   _H7_    53     1.09065   114.04806     2.75456
   72    70 S   CM   _C5_    54     1.35078   127.58809  -177.69692
   73    72 S   CM   _C21    55     1.46746   118.24810  -179.16584
   74    73 S   HC   _H25    56     1.09016   115.34528    -1.30386
   75    72 S   CT   _C4_    73     1.50881   124.50417     1.16718
   76    75 S   HC   _H4_    74     1.09564   110.48083  -117.04671
   77    75 S   HC   _H5_    75     1.09163   113.77372     3.22161
   78    75 S   HC   _H6_    76     1.09590   110.55054   122.54541
   79    73 S   CM   _C22    57     1.34459   126.74251   178.46851
   80    79 S   HC   _H26    58     1.08309   119.82026    -0.06853
   81    79 S   CM   _C23    59     1.45115   122.55295  -179.93147
   82    81 S   HC   _H27    60     1.09077   114.06956    -0.14804
   83    81 S   CM   _C24    61     1.35082   127.73701   179.85463
   84    83 S   CM   _C26    62     1.46778   118.19542   180.00000
   85    84 S   HC   _H31    63     1.08942   115.23192    -0.00000
   86    83 S   CT   _C25    69     1.50858   124.60080    -0.00000
   87    86 S   HC   _H28    70     1.09582   110.48192  -119.82063
   88    86 S   HC   _H29    71     1.09581   110.48196   119.80926
   89    86 S   HC   _H30    72     1.09176   113.88599    -0.00000
   90    84 S   CM   _C27    64     1.34214   126.62884   179.98022
   91    90 S   HC   _H32    65     1.08792   120.80926    -0.00000
   92    90 S   CO3  _C28    66     1.53567   121.86668  -179.98022
   93    92 S   O2Z  _O36    67     1.26252   117.02849    -0.02798
   94    92 S   O2Z  _O35    68     1.26624   113.86750   180.00000
  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
  15   7   2   1   1  13   8   4   3  10   4   4   2   1   1   6
   2   6   3   4   9   3   3   2   1   1   9  10   4   4   2   1
   1   6   3   6   3   9   3   9  10   4   4   2   1   1   6   3
   9   3   9  10   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    50    44    45    46    47    39    40    41    48    49    52  
   38    42    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    50    51    53    44    45    46    47    39    40    41    48  
   40    41    48    49    52    55    42    44  
   41    48    49    52  
   48    49    52  
   43    50    51    53    54    59    44    45    46    47  
   50    51    53    44  
   45    46    47    50  
   46    47  
   47  
    0  
   49    52    55    56    57    58  
   52    55  
   51    53    54    59    60    62  
   53    54    59  
   55    56    57    58  
   54    59    60    61    66    62    63    64    65  
   59    60    62  
   56    57    58  
   57    58  
   58  
    0  
   60    61    66    67    68    62    63    64    65  
   61    66    67    68    69    70    62    63    64    65  
   66    67    68    62  
   63    64    65    66  
   64    65  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73    75  
   70    71    72  
   71    72    73    74    79    75    76    77    78  
   72    73    75  
   73    74    79    80    81    75    76    77    78  
   74    79    80    81    82    83    75    76    77    78  
   79    80    81    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82    83    84    86  
   81    82    83  
   82    83    84    85    90    86    87    88    89  
   83    84    86  
   84    85    90    91    92    86    87    88    89  
   85    90    91    92    93    94    86    87    88    89  
   90    91    92    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    50   380.000  1.444
   50    51   340.000  1.080
   50    53   549.000  1.340
   53    54   340.000  1.080
   53    59   380.000  1.444
   59    60   549.000  1.340
   59    62   317.000  1.510
   60    61   340.000  1.080
   60    66   380.000  1.444
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   340.000  1.080
   68    70   380.000  1.444
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   380.000  1.444
   72    75   317.000  1.510
   73    74   340.000  1.080
   73    79   549.000  1.340
   79    80   340.000  1.080
   79    81   380.000  1.444
   81    82   340.000  1.080
   81    83   549.000  1.340
   83    84   380.000  1.444
   83    86   317.000  1.510
   84    85   340.000  1.080
   84    90   549.000  1.340
   90    91   340.000  1.080
   90    92   230.000  1.545
   92    93   656.000  1.250
   92    94   656.000  1.250
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   317.000  1.522
   48    49   570.000  1.229
   48    52   214.000  1.327
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    50    70.00000  123.01800
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    50    51    35.00000  120.00000
   42    50    53    70.00000  123.01800
   50    42    43    35.00000  120.00000
   50    53    54    35.00000  120.00000
   50    53    59    70.00000  123.01800
   53    50    51    35.00000  120.00000
   53    59    60    70.00000  123.01800
   53    59    62    70.00000  124.00000
   59    53    54    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    66    70.00000  123.01800
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    65    35.00000  109.50000
   60    66    67    35.00000  120.00000
   60    66    68    70.00000  123.01800
   66    60    61    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    70.00000  123.01800
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    70.00000  123.01800
   70    68    69    35.00000  120.00000
   70    72    73    70.00000  123.01800
   70    72    75    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    79    70.00000  123.01800
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   73    79    80    35.00000  120.00000
   73    79    81    70.00000  123.01800
   79    73    74    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    70.00000  123.01800
   81    79    80    35.00000  120.00000
   81    83    84    70.00000  123.01800
   81    83    86    70.00000  124.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  120.00000
   83    84    90    70.00000  123.01800
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   84    90    91    35.00000  120.00000
   84    90    92    55.00000  124.75400
   90    84    85    35.00000  120.00000
   90    92    93    85.00000  113.83300
   90    92    94    85.00000  113.83300
   92    90    91    40.00000  118.53000
   94    92    93    80.00000  126.00000
   86    83    84    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   75    72    73    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   62    59    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    48    49    80.00000  120.40000
   39    48    52    81.00000  111.40000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
   48    52    55    83.00000  116.90000
   52    48    49    83.00000  123.40000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  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    48   0.56750  1.0 1.0
   29    33    39    48  -0.07550 -1.0 2.0
   29    33    39    48   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   33    39    48    49   0.30150 -1.0 2.0
   33    39    48    52   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  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    48  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    48  -0.98800  1.0 1.0
   38    33    39    48   0.48800 -1.0 2.0
   38    33    39    48   0.76800  1.0 3.0
   38    42    50    51  -0.18600  1.0 3.0
   38    42    50    53   0.28850  1.0 1.0
   38    42    50    53   2.61350 -1.0 2.0
   38    42    50    53   0.78400  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    50    53    54   7.00000 -1.0 2.0
   42    50    53    59   7.00000 -1.0 2.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    53  -0.18600  1.0 3.0
   50    53    59    60   0.28850  1.0 1.0
   50    53    59    60   2.61350 -1.0 2.0
   50    53    59    60   0.78400  1.0 3.0
   50    53    59    62  -0.18600  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    59   7.00000 -1.0 2.0
   53    59    60    61   7.00000 -1.0 2.0
   53    59    60    66   7.00000 -1.0 2.0
   53    59    62    63   0.00000  1.0 1.0
   53    59    62    64   0.00000  1.0 1.0
   53    59    62    65   0.00000  1.0 1.0
   54    53    59    60  -0.18600  1.0 3.0
   54    53    59    62   0.00000  1.0 1.0
   59    60    66    67  -0.18600  1.0 3.0
   59    60    66    68   0.28850  1.0 1.0
   59    60    66    68   2.61350 -1.0 2.0
   59    60    66    68   0.78400  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   60    59    62    65   0.00000  1.0 1.0
   60    66    68    69   7.00000 -1.0 2.0
   60    66    68    70   7.00000 -1.0 2.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    68  -0.18600  1.0 3.0
   66    68    70    71  -0.18600  1.0 3.0
   66    68    70    72   0.28850  1.0 1.0
   66    68    70    72   2.61350 -1.0 2.0
   66    68    70    72   0.78400  1.0 3.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    70   7.00000 -1.0 2.0
   68    70    72    73   7.00000 -1.0 2.0
   68    70    72    75   7.00000 -1.0 2.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72  -0.18600  1.0 3.0
   70    72    73    74  -0.18600  1.0 3.0
   70    72    73    79   0.28850  1.0 1.0
   70    72    73    79   2.61350 -1.0 2.0
   70    72    73    79   0.78400  1.0 3.0
   70    72    75    76   0.00000  1.0 1.0
   70    72    75    77   0.00000  1.0 1.0
   70    72    75    78   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    75   7.00000 -1.0 2.0
   72    73    79    80   7.00000 -1.0 2.0
   72    73    79    81   7.00000 -1.0 2.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   73    72    75    78   0.00000  1.0 1.0
   73    79    81    82  -0.18600  1.0 3.0
   73    79    81    83   0.28850  1.0 1.0
   73    79    81    83   2.61350 -1.0 2.0
   73    79    81    83   0.78400  1.0 3.0
   74    73    79    80   7.00000 -1.0 2.0
   74    73    79    81   7.00000 -1.0 2.0
   79    81    83    84   7.00000 -1.0 2.0
   79    81    83    86   7.00000 -1.0 2.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83  -0.18600  1.0 3.0
   81    83    84    85  -0.18600  1.0 3.0
   81    83    84    90   0.28850  1.0 1.0
   81    83    84    90   2.61350 -1.0 2.0
   81    83    84    90   0.78400  1.0 3.0
   81    83    86    87   0.00000  1.0 1.0
   81    83    86    88   0.00000  1.0 1.0
   81    83    86    89   0.00000  1.0 1.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    86   7.00000 -1.0 2.0
   83    84    90    91   7.00000 -1.0 2.0
   83    84    90    92   7.00000 -1.0 2.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   84    83    86    89   0.00000  1.0 1.0
   84    90    92    93  -0.04000 -1.0 2.0
   84    90    92    93  -0.29050  1.0 3.0
   84    90    92    94  -0.04000 -1.0 2.0
   84    90    92    94  -0.29050  1.0 3.0
   85    84    90    91   7.00000 -1.0 2.0
   85    84    90    92   7.00000 -1.0 2.0
   91    90    92    93   0.00000  1.0 1.0
   91    90    92    94   0.00000  1.0 1.0
   86    83    84    85   0.00000  1.0 1.0
   86    83    84    90  -0.18600  1.0 3.0
   75    72    73    74   0.00000  1.0 1.0
   75    72    73    79  -0.18600  1.0 3.0
   62    59    60    61   7.00000 -1.0 2.0
   62    59    60    66   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    50   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   39    48    52    55   1.63150  1.0 1.0
   39    48    52    55   2.92000 -1.0 2.0
   40    39    48    49   0.00000  1.0 1.0
   40    39    48    52   0.00000  1.0 1.0
   41    39    48    49   0.00000  1.0 1.0
   41    39    48    52   0.00000  1.0 1.0
   48    52    55    56   0.08050  1.0 3.0
   48    52    55    57   0.08050  1.0 3.0
   48    52    55    58   0.08050  1.0 3.0
   49    48    52    55   3.00000 -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    44    38    42  15.00000 -1.0 2.0
   50    43    42    38  15.00000 -1.0 2.0
   42    51    50    53  15.00000 -1.0 2.0
   59    54    53    50  15.00000 -1.0 2.0
   53    62    59    60  15.00000 -1.0 2.0
   66    61    60    59  15.00000 -1.0 2.0
   60    67    66    68  15.00000 -1.0 2.0
   70    69    68    66  15.00000 -1.0 2.0
   68    71    70    72  15.00000 -1.0 2.0
   73    75    72    70  15.00000 -1.0 2.0
   72    74    73    79  15.00000 -1.0 2.0
   81    80    79    73  15.00000 -1.0 2.0
   79    82    81    83  15.00000 -1.0 2.0
   84    86    83    81  15.00000 -1.0 2.0
   83    85    84    90  15.00000 -1.0 2.0
   92    91    90    84  15.00000 -1.0 2.0
   93    90    92    94  10.50000 -1.0 2.0
   39    52    48    49  10.50000 -1.0 2.0
END
