* LIGAND DATABASE FILE (OPLS2005)
*
001      93    92    173    252     510
    1     0 S   NP   _N1_     1    29.47080    94.96375   -26.46448
    2     1 S   H    _HN1     2     1.02787   122.59909  -107.23428
    3     1 S   H    _H1_     3     1.02895    81.30179    -0.94212
    4     1 S   H    _H2_     4     1.02823    26.28191  -169.19150
    5     1 S   CT   _CA1     5     1.50113   116.54343   107.51574
    6     5 S   HC   _HA1     6     1.09563   105.17578    87.29119
    7     5 S   CO3  _C1_     7     1.53767   112.57496   -33.00486
    8     7 S   O2Z  _O11     8     1.26370   115.00979   -39.40204
    9     7 S   O2Z  _O12     9     1.26238   114.96042   139.74122
   10     5 S   CT   _CB1    10     1.53031   107.42737  -154.59139
   11    10 S   HC   HB11    11     1.09828   109.41781   -48.16804
   12    10 S   HC   HB12    12     1.09708   110.34278    68.48898
   13    10 S   CT   _CG1    13     1.52987   112.75375  -169.30771
   14    13 S   HC   HG11    14     1.09569   110.68942   -67.23480
   15    13 S   HC   HG12    15     1.09663   109.76562    52.08351
   16    13 S   C    _CD1    16     1.51782   112.02441   172.55015
   17    16 S   O    _OE1    17     1.22746   123.21768    10.52224
   18    16 S   N    _N2_    18     1.38670   111.82475  -169.62950
   19    18 S   H    _HN2    19     1.01579   119.01435     1.63135
   20    18 S   CT1  _CA2    20     1.46099   123.23722   177.04726
   21    20 S   HC   _HA2    21     1.09534   109.09028     5.07370
   22    20 S   C    _C2_    22     1.53617   109.17148  -109.90805
   23    22 S   O    _O2_    23     1.23085   122.08198  -150.63866
   24    20 S   CT   _CB2    32     1.53385   111.79489   127.55653
   25    24 S   HC   HB21    33     1.09667   109.42551    61.83136
   26    24 S   HC   HB22    34     1.09460   111.03241   178.88566
   27    22 S   N    _N3_    24     1.38262   113.89727    36.92902
   28    27 S   H    _HN3    25     1.01561   119.61958    -3.48105
   29    24 S   S    _SG2    35     1.82990   114.33005   -57.36938
   30    27 S   CT   _CA3    26     1.45282   123.27069   177.01443
   31    30 S   HC   HA31    27     1.09548   107.53640   -64.03559
   32    30 S   HC   HA32    28     1.09555   107.96950    52.41830
   33    29 S   CT   _C17    36     1.84113   100.86390   -71.02926
   34    33 S   HC   _H3_    37     1.09366   109.00351    38.80592
   35    30 S   CO3  _C3_    29     1.52970   114.03190   174.39087
   36    35 S   O2Z  _O31    30     1.26385   116.06306    -0.70304
   37    35 S   O2Z  _O32    31     1.26421   114.42347   179.35623
   38    33 S   CT   _C18    38     1.53596   108.72878   -81.48595
   39    38 S   HC   _H32    39     1.09552   110.04317   -69.01261
   40    38 S   HC   _H33    40     1.09581   111.80900    50.45558
   41    33 S   CT   _C16    54     1.54460   109.70263   157.06473
   42    41 S   HC   _H30    55     1.09731   109.01453   172.49423
   43    41 S   HC   _H31    56     1.09803   110.35365    56.36064
   44    38 S   CO4  _C19    41     1.52173   112.51027   169.17296
   45    44 S   O    _O33    42     1.23191   121.92094   -31.72334
   46    41 S   CT   _C15    57     1.53519   113.55345   -67.39414
   47    46 S   HC   _H28    58     1.09534   108.83381   -54.47982
   48    46 S   HC   _H29    59     1.09520   110.51892    63.30939
   49    44 S   CT1  _C20    43     1.52226   116.90755   150.23304
   50    49 S   HC   _H4_    44     1.09460   109.41310    35.41687
   51    46 S   CT   _C14    60     1.53109   111.20688  -175.45171
   52    51 S   HC   _H26    61     1.09676   109.71279    64.11928
   53    51 S   HC   _H27    62     1.09708   109.14559   -52.54456
   54    49 S   CTU  _C21    45     1.52529   110.79717   -89.21699
   55    54 S   HC   _H34    46     1.09545   111.69826  -162.13300
   56    54 S   HC   _H35    47     1.09529   111.45150   -41.33440
   57    49 S   NP   _N4_    50     1.49521   109.35346   151.19648
   58    57 S   H    _H37    51     1.02918   111.10222   -59.49138
   59    57 S   H    _H38    52     1.02868   112.10335  -179.61641
   60    57 S   H    _H39    53     1.02985   111.28018    59.44683
   61    51 S   CT   _C13    63     1.53135   113.29490  -173.02408
   62    61 S   HC   _H24    64     1.09710   108.20156   174.55400
   63    61 S   HC   _H25    65     1.09700   109.40679    58.69130
   64    54 S   OH   _O34    48     1.42273   110.47216    78.34313
   65    64 S   HO   _H36    49     0.97290   107.99563    68.03013
   66    61 S   CT   _C12    66     1.53004   113.57578   -64.16181
   67    66 S   HC   _H22    67     1.09652   109.71374   -55.30653
   68    66 S   HC   _H23    68     1.09529   110.02048    62.49933
   69    66 S   CT   _C11    69     1.53011   111.06512  -176.65766
   70    69 S   HC   _H20    70     1.09647   109.45143   -56.57905
   71    69 S   HC   _H21    71     1.09675   109.62419    60.63573
   72    69 S   CT   _C10    72     1.52912   111.44373  -177.83599
   73    72 S   HC   _H18    73     1.09645   109.58630    57.68476
   74    72 S   HC   _H19    74     1.09672   109.66688   -59.58601
   75    72 S   CT   _C9_    75     1.52932   111.24417   178.99167
   76    75 S   HC   _H16    76     1.09661   109.65373   -56.00823
   77    75 S   HC   _H17    77     1.09679   109.55603    61.19471
   78    75 S   CT   _C8_    78     1.52928   111.28685  -177.37445
   79    78 S   HC   _H14    79     1.09677   109.56500   -59.61719
   80    78 S   HC   _H15    80     1.09683   109.59225    57.67099
   81    78 S   CT   _C7_    81     1.52936   111.30527   178.94260
   82    81 S   HC   _H12    82     1.09687   109.54908   -58.48047
   83    81 S   HC   _H13    83     1.09679   109.57639    58.81562
   84    81 S   CT   _C6_    84     1.52948   111.31987  -179.78971
   85    84 S   HC   _H10    85     1.09684   109.57805   -58.68463
   86    84 S   HC   _H11    86     1.09687   109.57106    58.58648
   87    84 S   CT   _C5_    87     1.52843   111.32557   179.94405
   88    87 S   HC   _H8_    88     1.09623   109.86536   -58.85159
   89    87 S   HC   _H9_    89     1.09622   109.86649    58.87727
   90    87 S   CT   _C4_    90     1.52036   111.49295  -180.00000
   91    90 S   HC   _H5_    91     1.09468   111.00134   -60.25969
   92    90 S   HC   _H6_    92     1.09449   110.26136   180.00000
   93    90 S   HC   _H7_    93     1.09469   111.00070    60.25997
  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  10   5   4   3
  14   8   2   1   1  12   5   4  10   5   4  11   4   9   5   4
  10   8   9   5   4   8   4   3   4   2   1   1   9   5   4   1
   1   9   5   4   9   5   4   9   5   4   9   5   4   9   5   4
   9   5   4   9   5   4   6   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    41    42    43    46    47    48    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    49    50    54    57    41    42    43    46  
   40    44    45    49    41  
   44    45    49    41  
   42    43    46    47    48    51    52    53    61    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    54    55    56    64    57    58    59    60  
   49    50    54    57  
   47    48    51    52    53    61    62    63    66  
   48    51    52    53    61  
   51    52    53    61  
   50    54    55    56    64    65    57    58    59    60  
   54    55    56    64    57    58    59    60  
   52    53    61    62    63    66    67    68    69  
   53    61    62    63    66  
   61    62    63    66  
   55    56    64    65    57    58    59    60  
   56    64    65    57  
   64    65    57  
   58    59    60    64  
   59    60  
   60  
    0  
   62    63    66    67    68    69    70    71    72  
   63    66    67    68    69  
   66    67    68    69  
   65  
    0  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90    91    92    93  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   58   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   59   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   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    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    49   255.000  1.522
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    57   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   320.000  1.410
   64    65   553.000  0.945
   57    58   434.000  1.010
   57    59   434.000  1.010
   57    60   434.000  1.010
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    65.00000  117.09000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    49    50    45.00000  110.09800
   44    49    54    70.00000  110.61500
   44    49    57    85.00000  107.27000
   49    44    45    75.00000  123.42600
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    64    50.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   49    57    60    35.00000  109.50000
   54    49    50    37.50000  110.70000
   54    64    65    55.00000  108.50000
   56    54    55    33.00000  107.80000
   64    54    55    35.00000  109.50000
   64    54    56    35.00000  109.50000
   57    49    50    35.00000  109.50000
   57    49    54    80.00000  111.20000
   59    57    58    35.00000  109.50000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    61    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    66    58.35000  112.70000
   53    51    52    33.00000  107.80000
   61    51    52    37.50000  110.70000
   61    51    53    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  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    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.60050  1.0 1.0
   33    38    44    49   0.05600 -1.0 2.0
   33    38    44    49   0.26150  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.56750  1.0 1.0
   33    41    46    51  -0.07550 -1.0 2.0
   33    41    46    51   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    44    49    50   0.00000  1.0 1.0
   38    44    49    54   0.60050  1.0 1.0
   38    44    49    54   0.05600 -1.0 2.0
   38    44    49    54   0.26150  1.0 3.0
   38    44    49    57  -0.05600  1.0 1.0
   38    44    49    57   0.24350 -1.0 2.0
   38    44    49    57   1.01150  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    49   0.00000  1.0 1.0
   44    49    54    55  -0.03800  1.0 3.0
   44    49    54    56  -0.03800  1.0 3.0
   44    49    54    64  -2.82700  1.0 1.0
   44    49    54    64  -0.43600 -1.0 2.0
   44    49    57    58   0.17350  1.0 3.0
   44    49    57    59   0.17350  1.0 3.0
   44    49    57    60   0.17350  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54   0.00000  1.0 1.0
   45    44    49    57   0.00000  1.0 1.0
   49    54    64    65  -0.49550  1.0 1.0
   49    54    64    65  -0.43450 -1.0 2.0
   49    54    64    65   0.36950  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    64   0.23400  1.0 3.0
   50    49    57    58   0.13050  1.0 3.0
   50    49    57    59   0.13050  1.0 3.0
   50    49    57    60   0.13050  1.0 3.0
   54    49    57    58   0.17350  1.0 3.0
   54    49    57    59   0.17350  1.0 3.0
   54    49    57    60   0.17350  1.0 3.0
   55    54    64    65   0.22500  1.0 3.0
   56    54    64    65   0.22500  1.0 3.0
   57    49    54    55   0.23200  1.0 3.0
   57    49    54    56   0.23200  1.0 3.0
   57    49    54    64   2.71450  1.0 1.0
   57    49    54    64  -0.43950 -1.0 2.0
   57    49    54    64   0.52900  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    61   0.56750  1.0 1.0
   41    46    51    61  -0.07550 -1.0 2.0
   41    46    51    61   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    61    62   0.15000  1.0 3.0
   46    51    61    63   0.15000  1.0 3.0
   46    51    61    66   0.56750  1.0 1.0
   46    51    61    66  -0.07550 -1.0 2.0
   46    51    61    66   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    61   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    61   0.15000  1.0 3.0
   51    61    66    67   0.15000  1.0 3.0
   51    61    66    68   0.15000  1.0 3.0
   51    61    66    69   0.56750  1.0 1.0
   51    61    66    69  -0.07550 -1.0 2.0
   51    61    66    69   0.20000  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    66   0.15000  1.0 3.0
   53    51    61    62   0.15000  1.0 3.0
   53    51    61    63   0.15000  1.0 3.0
   53    51    61    66   0.15000  1.0 3.0
   61    66    69    70   0.15000  1.0 3.0
   61    66    69    71   0.15000  1.0 3.0
   61    66    69    72   0.56750  1.0 1.0
   61    66    69    72  -0.07550 -1.0 2.0
   61    66    69    72   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.56750  1.0 1.0
   69    72    75    78  -0.07550 -1.0 2.0
   69    72    75    78   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.56750  1.0 1.0
   72    75    78    81  -0.07550 -1.0 2.0
   72    75    78    81   0.20000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84   0.56750  1.0 1.0
   75    78    81    84  -0.07550 -1.0 2.0
   75    78    81    84   0.20000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87   0.56750  1.0 1.0
   78    81    84    87  -0.07550 -1.0 2.0
   78    81    84    87   0.20000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.15000  1.0 3.0
   81    84    87    89   0.15000  1.0 3.0
   81    84    87    90   0.56750  1.0 1.0
   81    84    87    90  -0.07550 -1.0 2.0
   81    84    87    90   0.20000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.15000  1.0 3.0
   84    87    90    91   0.15000  1.0 3.0
   84    87    90    92   0.15000  1.0 3.0
   84    87    90    93   0.15000  1.0 3.0
   85    84    87    88   0.15000  1.0 3.0
   85    84    87    89   0.15000  1.0 3.0
   85    84    87    90   0.15000  1.0 3.0
   86    84    87    88   0.15000  1.0 3.0
   86    84    87    89   0.15000  1.0 3.0
   86    84    87    90   0.15000  1.0 3.0
   88    87    90    91   0.15000  1.0 3.0
   88    87    90    92   0.15000  1.0 3.0
   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   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
   36    30    35    37  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
END
