* LIGAND DATABASE FILE (OPLS2005)
*
001      95    94    178    261     526
    1     0 S   NP   _N1_     1    28.94671    96.24431   -21.60406
    2     1 S   H    _HN1     2     1.02949    79.95397    14.53363
    3     1 S   H    _H1_     3     1.02829    38.44418   149.20112
    4     1 S   H    _H2_     4     1.02781    91.82318   -93.79157
    5     1 S   CT   _CA1     5     1.50102   147.66929   126.99663
    6     5 S   HC   _HA1     6     1.09581   105.20426    73.74221
    7     5 S   CO3  _C1_     7     1.53799   112.42408   -46.43913
    8     7 S   O2Z  _O11     8     1.26371   114.98671   -43.40847
    9     7 S   O2Z  _O12     9     1.26235   114.96827   135.70185
   10     5 S   CT   _CB1    10     1.53113   107.42502  -168.32578
   11    10 S   HC   HB11    11     1.09821   109.34872   -50.20985
   12    10 S   HC   HB12    12     1.09804   110.54632    66.46949
   13    10 S   CT   _CG1    13     1.52878   112.42162  -171.20176
   14    13 S   HC   HG11    14     1.09588   110.58451   -65.11815
   15    13 S   HC   HG12    15     1.09558   109.67667    54.12605
   16    13 S   C    _CD1    16     1.51690   112.65014   173.98210
   17    16 S   O    _OE1    17     1.22693   123.42282     0.15577
   18    16 S   N    _N2_    18     1.38624   111.36829  -179.33207
   19    18 S   H    _HN2    19     1.01531   118.94075     0.26541
   20    18 S   CT1  _CA2    20     1.46143   123.59198   177.58808
   21    20 S   HC   _HA2    21     1.09709   109.35753     2.64486
   22    20 S   C    _C2_    22     1.53658   109.21161  -113.32947
   23    22 S   O    _O2_    23     1.23100   121.97058  -154.93862
   24    20 S   CT   _CB2    32     1.53544   111.21835   124.68875
   25    24 S   HC   HB21    33     1.09363   108.63039    58.07631
   26    24 S   HC   HB22    34     1.09355   110.03945   176.75568
   27    22 S   N    _N3_    24     1.38239   114.12442    32.09297
   28    27 S   H    _HN3    25     1.01581   119.52642    -3.26537
   29    24 S   S    _SG2    35     1.82952   111.10710   -62.77901
   30    27 S   CT   _CA3    26     1.45307   123.26647   177.05098
   31    30 S   HC   HA31    27     1.09541   107.40962   -67.87964
   32    30 S   HC   HA32    28     1.09559   108.13812    48.56245
   33    29 S   CT   _C14    36     1.87347   102.62998   175.43584
   34    30 S   CO3  _C3_    29     1.52968   114.07084   170.79606
   35    34 S   O2Z  _O31    30     1.26371   116.05540     1.99871
   36    34 S   O2Z  _O32    31     1.26424   114.40956  -177.87763
   37    33 S   CT   _C15    37     1.53956   107.16379    70.44908
   38    37 S   HC   _H23    38     1.09499   112.05305   -63.23176
   39    37 S   HC   _H24    39     1.09422   111.65646   178.04355
   40    37 S   HC   _H25    40     1.09632   111.76531    58.11526
   41    33 S   CT   _C16    41     1.54927   104.44529  -172.39130
   42    41 S   HC   _H26    42     1.10001   109.10030    54.97011
   43    41 S   HC   _H27    43     1.10076   108.88511   -60.01193
   44    33 S   CT   _C13    47     1.55146   112.46452   -50.35922
   45    44 S   HC   _H21    48     1.09670   109.32364   179.37068
   46    44 S   HC   _H22    49     1.09696   109.67768    65.97272
   47    41 S   CO3  _C17    44     1.53673   122.29609   178.12842
   48    47 S   O2Z  _O34    45     1.25922   117.09831    11.31641
   49    47 S   O2Z  _O33    46     1.26596   113.94038  -169.12583
   50    44 S   CT   _C12    50     1.53672   116.16914   -58.31327
   51    50 S   HC   _H19    51     1.09545   109.98301   -62.69946
   52    50 S   HC   _H20    52     1.09310   110.23872    55.65143
   53    50 S   CT   _C11    53     1.53303   110.64180   176.75140
   54    53 S   HC   _H17    54     1.09694   109.63049   -59.12969
   55    53 S   HC   _H18    55     1.09805   108.43994    56.36950
   56    53 S   CT   _C9_    56     1.54038   113.63721   177.20796
   57    56 S   HC   _H4_    57     1.09864   107.71153   -58.70832
   58    56 S   CT   _C10    58     1.53347   109.55059  -174.33597
   59    58 S   HC   _H14    59     1.09441   111.86095   -59.53574
   60    58 S   HC   _H15    60     1.09552   110.52499    60.34272
   61    58 S   HC   _H16    61     1.09504   110.94436   179.51989
   62    56 S   CT   _C8_    62     1.54382   114.78871    60.01191
   63    62 S   HC   _H12    63     1.09798   108.44931   176.15458
   64    62 S   HC   _H13    64     1.09726   109.10974   -69.24475
   65    62 S   CT   _C7_    65     1.53410   115.30598    53.40797
   66    65 S   HC   _H10    66     1.09394   109.62559    49.88230
   67    65 S   HC   _H11    67     1.09564   109.79114   -68.17703
   68    65 S   CT   _C6_    68     1.53350   111.02595   170.71145
   69    68 S   HC   _H8_    69     1.09767   108.98456   -67.65767
   70    68 S   HC   _H9_    70     1.09759   108.64976    48.08617
   71    68 S   CT   _C5_    71     1.54439   114.34515   169.30211
   72    71 S   HC   _H3_    72     1.09692   107.86496   -61.80690
   73    71 S   CT   _C4_    73     1.53385   108.78943  -178.37057
   74    73 S   HC   _H5_    74     1.09522   111.14988   -70.41269
   75    73 S   HC   _H6_    75     1.09490   111.10105    49.61067
   76    73 S   HC   _H7_    76     1.09406   111.37817   168.74404
   77    71 S   CT   _C18    77     1.54266   112.51790    57.32893
   78    77 S   HC   _H28    78     1.09710   109.86639    60.31410
   79    77 S   HC   _H29    79     1.09565   109.31061   -56.67853
   80    77 S   CT   _C19    80     1.53341   113.25089  -176.82812
   81    80 S   HC   _H30    81     1.09510   109.21823    52.78614
   82    80 S   HC   _H31    82     1.09409   109.61126   -65.01394
   83    80 S   CT   _C20    83     1.53199   111.47269   173.73478
   84    83 S   HC   _H32    84     1.09764   108.77613   -52.71804
   85    83 S   HC   _H33    85     1.09743   109.36231    63.40038
   86    83 S   CT   _C21    86     1.54034   113.27297  -173.62766
   87    86 S   HC   _H34    87     1.09749   108.66925    56.49554
   88    86 S   CT   _C22    88     1.52931   112.52835   -63.30786
   89    88 S   HC   _H35    89     1.09520   111.24891   -56.17049
   90    88 S   HC   _H36    90     1.09404   111.41164    64.64843
   91    88 S   HC   _H37    91     1.09544   110.73953  -176.23610
   92    86 S   CT   _C23    92     1.53058   109.81037   174.16897
   93    92 S   HC   _H38    93     1.09538   111.28359    61.98256
   94    92 S   HC   _H39    94     1.09516   110.83429   -58.29456
   95    92 S   HC   _H40    95     1.09520   110.83366  -177.76200
  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  13   5   4   3
  17   2   1   1  11   4   3   2   9   5   4  10   5   4   2   1
   1   9   5   4  12   5   4  12   8   7   3   2   1   9   5   4
   9   5   4  12   5   4  12   8   7   3   2   1   9   5   4   9
   5   4  12   5   4   9   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    47    44    45    46    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    47    48    49    44    45    46    50    51    52    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    50  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    47    48    49    44    45    46    50  
   43    47    48    49    44  
   47    48    49    44  
   45    46    50    51    52    53    54    55    56    47  
   46    50    51    52    53  
   50    51    52    53  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    58    62  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56    57    58    59    60    61    62    63    64    65  
   55    56    57    58    62  
   56    57    58    62  
   57    58    59    60    61    62    63    64    65    66    67    68  
   58    59    60    61    62    63    64    65  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65    66    67    68    69    70    71  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    72    73    77  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75    76    77    78    79    80  
   70    71    72    73    77  
   71    72    73    77  
   72    73    74    75    76    77    78    79    80    81    82    83  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    92  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89    90    91    92    93    94    95  
   85    86    87    88    92  
   86    87    88    92  
   87    88    89    90    91    92    93    94    95  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   656.000  1.250
   47    49   656.000  1.250
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    62   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    47    70.00000  109.69300
   33    44    45    37.50000  110.70000
   33    44    46    37.50000  110.70000
   33    44    50    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    47    48    70.00000  117.00000
   41    47    49    70.00000  117.00000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   49    47    48    80.00000  126.00000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    58.35000  112.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    62    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    58.35000  112.70000
   58    56    57    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    58.35000  112.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    58.35000  112.70000
   68    71    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    58.35000  112.70000
   73    71    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    58.35000  112.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    58.35000  112.70000
   83    86    92    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    37.50000  110.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    46   0.15000  1.0 3.0
   29    33    44    50   0.44750  1.0 1.0
   29    33    44    50  -0.17800 -1.0 2.0
   29    33    44    50   0.20200  1.0 3.0
   33    41    47    48   0.41150 -1.0 2.0
   33    41    47    49   0.41150 -1.0 2.0
   33    44    50    51   0.15000  1.0 3.0
   33    44    50    52   0.15000  1.0 3.0
   33    44    50    53   0.56750  1.0 1.0
   33    44    50    53  -0.07550 -1.0 2.0
   33    44    50    53   0.20000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    47  -1.63150  1.0 1.0
   37    33    41    47  -0.43550 -1.0 2.0
   37    33    41    47   0.24500  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    46   0.15000  1.0 3.0
   37    33    44    50   0.56750  1.0 1.0
   37    33    44    50  -0.07550 -1.0 2.0
   37    33    44    50   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    46   0.15000  1.0 3.0
   41    33    44    50   0.56750  1.0 1.0
   41    33    44    50  -0.07550 -1.0 2.0
   41    33    44    50   0.20000  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   43    41    47    48   0.00000  1.0 1.0
   43    41    47    49   0.00000  1.0 1.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    47  -1.63150  1.0 1.0
   44    33    41    47  -0.43550 -1.0 2.0
   44    33    41    47   0.24500  1.0 3.0
   44    50    53    54   0.15000  1.0 3.0
   44    50    53    55   0.15000  1.0 3.0
   44    50    53    56   0.56750  1.0 1.0
   44    50    53    56  -0.07550 -1.0 2.0
   44    50    53    56   0.20000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    53   0.15000  1.0 3.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.56750  1.0 1.0
   50    53    56    58  -0.07550 -1.0 2.0
   50    53    56    58   0.20000  1.0 3.0
   50    53    56    62   0.56750  1.0 1.0
   50    53    56    62  -0.07550 -1.0 2.0
   50    53    56    62   0.20000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    60   0.15000  1.0 3.0
   53    56    58    61   0.15000  1.0 3.0
   53    56    62    63   0.15000  1.0 3.0
   53    56    62    64   0.15000  1.0 3.0
   53    56    62    65   0.56750  1.0 1.0
   53    56    62    65  -0.07550 -1.0 2.0
   53    56    62    65   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    62   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    62   0.15000  1.0 3.0
   56    62    65    66   0.15000  1.0 3.0
   56    62    65    67   0.15000  1.0 3.0
   56    62    65    68   0.56750  1.0 1.0
   56    62    65    68  -0.07550 -1.0 2.0
   56    62    65    68   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    65   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    65   0.56750  1.0 1.0
   58    56    62    65  -0.07550 -1.0 2.0
   58    56    62    65   0.20000  1.0 3.0
   62    56    58    59   0.15000  1.0 3.0
   62    56    58    60   0.15000  1.0 3.0
   62    56    58    61   0.15000  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70   0.15000  1.0 3.0
   62    65    68    71   0.56750  1.0 1.0
   62    65    68    71  -0.07550 -1.0 2.0
   62    65    68    71   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    73   0.56750  1.0 1.0
   65    68    71    73  -0.07550 -1.0 2.0
   65    68    71    73   0.20000  1.0 3.0
   65    68    71    77   0.56750  1.0 1.0
   65    68    71    77  -0.07550 -1.0 2.0
   65    68    71    77   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    73    75   0.15000  1.0 3.0
   68    71    73    76   0.15000  1.0 3.0
   68    71    77    78   0.15000  1.0 3.0
   68    71    77    79   0.15000  1.0 3.0
   68    71    77    80   0.56750  1.0 1.0
   68    71    77    80  -0.07550 -1.0 2.0
   68    71    77    80   0.20000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    77   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    77   0.15000  1.0 3.0
   71    77    80    81   0.15000  1.0 3.0
   71    77    80    82   0.15000  1.0 3.0
   71    77    80    83   0.56750  1.0 1.0
   71    77    80    83  -0.07550 -1.0 2.0
   71    77    80    83   0.20000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    76   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.56750  1.0 1.0
   73    71    77    80  -0.07550 -1.0 2.0
   73    71    77    80   0.20000  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86   0.56750  1.0 1.0
   77    80    83    86  -0.07550 -1.0 2.0
   77    80    83    86   0.20000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.56750  1.0 1.0
   80    83    86    88  -0.07550 -1.0 2.0
   80    83    86    88   0.20000  1.0 3.0
   80    83    86    92   0.56750  1.0 1.0
   80    83    86    92  -0.07550 -1.0 2.0
   80    83    86    92   0.20000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   83    86    88    89   0.15000  1.0 3.0
   83    86    88    90   0.15000  1.0 3.0
   83    86    88    91   0.15000  1.0 3.0
   83    86    92    93   0.15000  1.0 3.0
   83    86    92    94   0.15000  1.0 3.0
   83    86    92    95   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    92   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    92   0.15000  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    90   0.15000  1.0 3.0
   87    86    88    91   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.15000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   48    41    47    49  10.50000 -1.0 2.0
END
