* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    165    257     482
    1     0 S   NP   _N1_     1    28.92978    95.94848   -24.95851
    2     1 S   H    _HN1     2     1.02951    74.14636    12.79968
    3     1 S   H    _H1_     3     1.02829    33.75689   179.80416
    4     1 S   H    _H2_     4     1.02785   112.18542   -90.95352
    5     1 S   CT   _CA1     5     1.50106   130.70251   116.32852
    6     5 S   HC   _HA1     6     1.09572   105.21145    91.35351
    7     5 S   CO3  _C1_     7     1.53796   112.44929   -28.91608
    8     7 S   O2Z  _O11     8     1.26373   115.01028   -43.03123
    9     7 S   O2Z  _O12     9     1.26241   114.94613   136.14494
   10     5 S   CT   _CB1    10     1.53084   107.42531  -150.64770
   11    10 S   HC   HB11    11     1.09832   109.40671   -49.73072
   12    10 S   HC   HB12    12     1.09814   110.42946    66.88083
   13    10 S   CT   _CG1    13     1.52988   112.59711  -170.71139
   14    13 S   HC   HG11    14     1.09584   110.61290   -64.80023
   15    13 S   HC   HG12    15     1.09667   109.81181    54.42995
   16    13 S   C    _CD1    16     1.51799   112.25157   174.90638
   17    16 S   O    _OE1    17     1.22729   123.30013     5.67544
   18    16 S   N    _N2_    18     1.38659   111.65352  -174.46455
   19    18 S   H    _HN2    19     1.01586   118.93857     1.98130
   20    18 S   CT1  _CA2    20     1.46199   123.39317   178.00865
   21    20 S   HC   _HA2    21     1.09737   109.34811     1.91949
   22    20 S   C    _C2_    22     1.53535   108.65656  -113.57532
   23    22 S   O    _O2_    23     1.23056   122.27289  -148.21357
   24    20 S   CT   _CB2    32     1.53310   111.55489   123.87766
   25    24 S   HC   HB21    33     1.09582   110.10813    56.47217
   26    24 S   HC   HB22    34     1.09511   110.21715   175.57437
   27    22 S   N    _N3_    24     1.38326   113.70283    39.25514
   28    27 S   H    _HN3    25     1.01588   119.58202    -3.37667
   29    24 S   S    _SG2    35     1.82569   111.60589   -64.49282
   30    27 S   CT   _CA3    26     1.45290   123.20865   177.09276
   31    30 S   HC   HA31    27     1.09550   107.51401   -64.50977
   32    30 S   HC   HA32    28     1.09558   107.98373    51.92952
   33    29 S   CT   _C26    36     1.82888    98.81935   178.55517
   34    33 S   F    F4__    37     1.36542   108.51169   -56.27065
   35    33 S   F    F5__    38     1.36529   108.49278    57.28420
   36    30 S   CO3  _C3_    29     1.52958   114.07784   173.92643
   37    36 S   O2Z  _O31    30     1.26377   116.06233    -0.60263
   38    36 S   O2Z  _O32    31     1.26428   114.41583   179.45751
   39    33 S   CA   _C23    39     1.50878   110.50059  -179.46918
   40    39 S   CA   _C22    40     1.40040   120.62330    89.46791
   41    40 S   HA   _H18    41     1.08774   120.32249     0.19180
   42    40 S   CA   _C21    42     1.39849   120.68738  -179.35472
   43    42 S   HA   _H17    43     1.08734   118.25567   178.89323
   44    42 S   CA   _C20    44     1.40108   120.68469    -0.37587
   45    44 S   CA   _C25    45     1.40147   118.51925     1.23859
   46    45 S   HA   _H20    46     1.08819   120.58703   178.98934
   47    44 S   CM   _C19    49     1.47137   122.73773   178.47594
   48    47 S   HC   _H16    50     1.08800   115.64493  -150.66979
   49    39 S   CA   _C24    47     1.40005   120.66433   -89.40090
   50    49 S   HA   _H19    48     1.08762   120.36851    -0.43251
   51    47 S   CM   _C18    51     1.34080   124.45214    30.78479
   52    51 S   HC   _H15    52     1.08419   123.19286     2.28790
   53    51 S   CD   _C8_    53     1.49468   119.57251   178.31553
   54    53 S   CM   _C9_    54     1.49735   111.08064  -123.30416
   55    54 S   HC   _H9_    55     1.08531   117.31733     0.47560
   56    53 S   NI   _N6_    72     1.29747   127.42747    58.46926
   57    54 S   CM   _C10    56     1.34161   121.00189   179.45607
   58    57 S   HC   _H10    57     1.08736   120.49057    -0.70276
   59    56 S   NI   _N5_    73     1.39233   114.18929     1.82885
   60    57 S   CA   _C11    58     1.47270   124.33286  -179.32391
   61    59 S   CDX  _C7_    74     1.30927   112.55902  -179.25349
   62    60 S   CA   _C12    59     1.40124   122.82715   -31.66675
   63    62 S   HA   _H11    60     1.08733   121.06919     0.62963
   64    61 S   NE   _N4_    75     1.37892   119.71437  -179.45788
   65    64 S   H    _H8_    76     1.01545   117.61118    -0.88093
   66    62 S   CA   _C13    61     1.39874   120.68894  -178.64419
   67    66 S   HA   _H12    62     1.08769   119.03189   179.84549
   68    64 S   CT   _C6_    77     1.44846   125.40697  -175.18716
   69    68 S   HC   _H6_    78     1.09603   109.38332  -152.99880
   70    68 S   HC   _H7_    79     1.09679   108.07457    90.87753
   71    66 S   CA   _C14    63     1.39869   120.62672     0.13988
   72    68 S   CT   _C5_    80     1.53922   111.07490   -30.28084
   73    71 S   CA   _C15    64     1.39837   118.84912     1.14227
   74    73 S   HA   _H13    65     1.08760   120.39217   178.77763
   75    71 S   CT   _C17    68     1.50138   120.56655   178.92845
   76    75 S   F    F1__    69     1.36233   113.23893    30.80594
   77    75 S   F    F2__    70     1.36234   113.22512   150.93307
   78    75 S   F    F3__    71     1.36141   112.29682   -89.13395
   79    72 S   CT   _C27    81     1.53910   108.17911    50.75612
   80    79 S   HC   _H22    82     1.09674   110.33850    69.16582
   81    79 S   HC   _H23    83     1.09599   110.90248  -172.47634
   82    72 S   CT   _C4_    86     1.53811   109.35704   169.77848
   83    82 S   HC   _H3_    87     1.09582   111.12486  -179.10300
   84    82 S   HC   _H4_    88     1.09583   111.12545    60.80829
   85    82 S   HC   _H5_    89     1.09585   111.32946   -59.14727
   86    72 S   CT   _C28    90     1.54141   110.82286   -70.92874
   87    86 S   HC   _H24    91     1.09598   110.92062  -179.67797
   88    86 S   HC   _H25    92     1.09474   112.35482    60.08804
   89    86 S   HC   _H26    93     1.09597   110.92266   -60.15418
   90    60 S   CA   _C16    66     1.40170   118.64563   151.12404
   91    90 S   HA   _H14    67     1.08823   120.58394    -1.50350
   92    61 S   NE   _N7_    84     1.38134   125.05676    -0.69942
   93    92 S   H    _H21    85     1.01567   117.09761     1.02603
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3   9   6   3   7   3
   1   1   7   3   8   8   4   5   8   3   7   9  11   8   4  10
   5   9   3  15   5   4   8  13   7   3   4   2   1   1  12   5
   4   8   3   2   1   4   2   1   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    49    50  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50  
   41    42    43    44    45    49    50    47  
   42    43    44    49  
   43    44    45    46    49    47    48    51  
   44    45    47  
   45    46    49    50    47    48    51    52    53  
   46    49    50    47    48    51  
   49    50    47  
   48    51    52    53    54    56    49  
   51    52    53  
   50  
    0  
   52    53    54    55    57    56    59  
   53    54    56  
   54    55    57    58    60    56    59    61  
   55    57    58    60    62    90    56    59  
   57    58    60    56  
   59    61    64    92    57  
   58    60    62    63    66    73    90    91  
   60    62    90  
   61    64    65    68    79    92    93  
   62    63    66    67    71    73    74    90    91  
   64    65    68    69    70    72    79    80    81    92    93  
   63    66    67    71    73    90    91    75  
   66    67    71    90  
   65    68    69    70    72    79    92    93    82    86  
   68    69    70    72    92  
   67    71    73    74    90    75    76    77    78  
   71    73    75  
   69    70    72    79    80    81    92    82    83    84    85    86    87    88    89  
   70    72    79    82    86  
   72    79    82    86  
   73    74    90    91    75    76    77    78  
   79    80    81    92    93    82    83    84    85    86    87    88    89  
   74    90    91    75    76    77    78  
   90    91    75  
   76    77    78    90  
   77    78  
   78  
    0  
   80    81    92    93    82    83    84    85    86    87    88    89  
   81    92    93    82    86  
   92    93    82    86  
   83    84    85    86    87    88    89    92  
   84    85    86  
   85    86  
   86  
   87    88    89    92  
   88    89  
   89  
    0  
   91  
    0  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2800   0.1700  -0.389700   1.8540   1.6400   0.005000000   0.000000000
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2800   0.1700  -0.359000   1.9250   1.7000   0.054801302  -2.445846770
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   77   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   78   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   79   3.5000   0.0660   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   93   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    53   320.000  1.464
   53    54   320.000  1.464
   53    56   500.000  1.261
   54    55   340.000  1.080
   54    57   549.000  1.340
   57    58   340.000  1.080
   57    60   320.000  1.460
   60    62   469.000  1.400
   60    90   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    73   469.000  1.400
   71    75   317.000  1.510
   73    74   367.000  1.080
   73    90   469.000  1.400
   90    91   367.000  1.080
   75    76   367.000  1.332
   75    77   367.000  1.332
   75    78   367.000  1.332
   56    59   245.000  1.410
   59    61   650.000  1.285
   61    64   445.000  1.380
   61    92   445.000  1.380
   64    65   434.000  1.010
   64    68   382.000  1.448
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    79   268.000  1.529
   72    82   268.000  1.529
   72    86   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    92   382.000  1.448
   92    93   434.000  1.010
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    45    63.00000  120.00000
   39    49    50    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    60.00000  120.93500
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    40.00000  117.26300
   44    47    51    60.00000  123.20500
   45    49    50    35.00000  120.00000
   49    39    40    63.00000  120.00000
   49    45    46    35.00000  120.00000
   47    44    45    60.00000  120.93500
   47    51    52    35.00000  120.00000
   47    51    53    60.00000  120.31500
   51    47    48    35.00000  120.00000
   51    53    54    65.00000  123.36000
   51    53    56    70.00000  121.86000
   53    51    52    40.00000  114.85300
   53    54    55    40.00000  114.85300
   53    54    57    60.00000  120.31500
   53    56    59    85.00000  110.74500
   54    57    58    35.00000  120.00000
   54    57    60    60.00000  123.20500
   57    54    55    35.00000  120.00000
   57    60    62    60.00000  120.93500
   57    60    90    60.00000  120.93500
   60    57    58    40.00000  117.26300
   60    62    63    35.00000  120.00000
   60    62    66    63.00000  120.00000
   60    90    73    63.00000  120.00000
   60    90    91    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    71    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    71    73    63.00000  120.00000
   66    71    75    70.00000  120.00000
   71    66    67    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    90    63.00000  120.00000
   71    75    76    50.00000  109.50000
   71    75    77    50.00000  109.50000
   71    75    78    50.00000  109.50000
   73    90    91    35.00000  120.00000
   90    60    62    63.00000  120.00000
   90    73    74    35.00000  120.00000
   75    71    73    70.00000  120.00000
   77    75    76    77.00000  109.10000
   78    75    76    77.00000  109.10000
   78    75    77    77.00000  109.10000
   56    53    54    70.00000  121.86000
   56    59    61   100.00000  108.00000
   59    61    64    75.00000  124.36500
   59    61    92    75.00000  124.36500
   61    64    65    35.00000  119.50000
   61    64    68    50.00000  119.50000
   61    92    79    50.00000  119.50000
   61    92    93    35.00000  119.50000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    72    80.00000  111.61500
   68    64    65    35.00000  112.50000
   68    72    79    58.35000  112.70000
   68    72    82    58.35000  112.70000
   68    72    86    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    92    80.00000  111.61500
   72    82    83    37.50000  110.70000
   72    82    84    37.50000  110.70000
   72    82    85    37.50000  110.70000
   72    86    87    37.50000  110.70000
   72    86    88    37.50000  110.70000
   72    86    89    37.50000  110.70000
   79    92    93    35.00000  112.50000
   81    79    80    33.00000  107.80000
   92    61    64    85.00000  116.27000
   92    79    80    35.00000  109.50000
   92    79    81    35.00000  109.50000
   82    72    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    72    79    58.35000  112.70000
   86    72    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    45   3.62500 -1.0 2.0
   33    39    49    50   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    49    45   3.62500 -1.0 2.0
   40    39    49    50   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    47    48   0.56550  1.0 3.0
   42    44    47    51   0.15800  1.0 1.0
   42    44    47    51   1.85350 -1.0 2.0
   42    44    47    51  -0.48700  1.0 3.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -49    39   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    47    51    52   7.00000 -1.0 2.0
   44    47    51    53   7.00000 -1.0 2.0
   45    44    47    48   0.56550  1.0 3.0
   45    44    47    51   0.15800  1.0 1.0
   45    44    47    51   1.85350 -1.0 2.0
   45    44    47    51  -0.48700  1.0 3.0
   46    45    49    39   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    53    54   0.69550 -1.0 2.0
   47    51    53    56   1.09650  1.0 1.0
   47    51    53    56   0.48950 -1.0 2.0
   47    51    53    56   0.49400  1.0 3.0
   48    47    51    52   7.00000 -1.0 2.0
   48    47    51    53   7.00000 -1.0 2.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    57   0.69550 -1.0 2.0
   51    53    56    59   6.00000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    56   1.00600 -1.0 2.0
   53    54    57    58   7.00000 -1.0 2.0
   53    54    57    60   7.00000 -1.0 2.0
   53    56    59    61   0.00000  1.0 1.0
   54    53    56    59   6.00000 -1.0 2.0
   54    57    60    62   0.15800  1.0 1.0
   54    57    60    62   1.85350 -1.0 2.0
   54    57    60    62  -0.48700  1.0 3.0
   54    57    60    90   0.15800  1.0 1.0
   54    57    60    90   1.85350 -1.0 2.0
   54    57    60    90  -0.48700  1.0 3.0
   55    54    57    58   7.00000 -1.0 2.0
   55    54    57    60   7.00000 -1.0 2.0
   57    60    62    63   3.62500 -1.0 2.0
   57    60    62    66   3.62500 -1.0 2.0
   57    60    90    73   3.62500 -1.0 2.0
   57    60    90    91   3.62500 -1.0 2.0
   58    57    60    62   0.56550  1.0 3.0
   58    57    60    90   0.56550  1.0 3.0
   60    62    66    67   3.62500 -1.0 2.0
   60    62    66    71   3.62500 -1.0 2.0
   62    60    90    73   3.62500 -1.0 2.0
   62    60    90    91   3.62500 -1.0 2.0
   62    66   -71    73   3.62500 -1.0 2.0
   62    66    71    75   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    71   3.62500 -1.0 2.0
   66    71    73    74   3.62500 -1.0 2.0
   66    71    73    90   3.62500 -1.0 2.0
   66    71    75    76   0.00000  1.0 1.0
   66    71    75    77   0.00000  1.0 1.0
   66    71    75    78   0.00000  1.0 1.0
   67    66    71    73   3.62500 -1.0 2.0
   67    66    71    75   3.62500 -1.0 2.0
   71    73   -90    60   3.62500 -1.0 2.0
   71    73    90    91   3.62500 -1.0 2.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   0.00000  1.0 1.0
   73    71    75    78   0.00000  1.0 1.0
   74    73    90    60   3.62500 -1.0 2.0
   74    73    90    91   3.62500 -1.0 2.0
   90    60    62    63   3.62500 -1.0 2.0
   90    60   -62    66   3.62500 -1.0 2.0
   75    71    73    74   3.62500 -1.0 2.0
   75    71    73    90   3.62500 -1.0 2.0
   56    53    54    55   1.00600 -1.0 2.0
   56    53    54    57   1.09650  1.0 1.0
   56    53    54    57   0.48950 -1.0 2.0
   56    53    54    57   0.49400  1.0 3.0
   56    59    61    64   6.00000 -1.0 2.0
   56    59    61    92   6.00000 -1.0 2.0
   59    61    64    65   1.50000 -1.0 2.0
   59    61    64    68  -0.86000  1.0 1.0
   59    61    64    68   0.84650 -1.0 2.0
   59    61    92    79  -0.86000  1.0 1.0
   59    61    92    79   0.84650 -1.0 2.0
   59    61    92    93   1.50000 -1.0 2.0
   61    64    68    69   0.00000  1.0 1.0
   61    64    68    70   0.00000  1.0 1.0
   61    64    68    72   0.38950  1.0 1.0
   61    64    68    72  -0.47050 -1.0 2.0
   61    64    68    72   0.83150  1.0 3.0
   64    61    92    79   1.17450  1.0 1.0
   64    61    92    79   0.83550 -1.0 2.0
   64    61    92    93   1.00000 -1.0 2.0
   64    68   -72    79   1.26750  1.0 1.0
   64    68   -72    79  -0.00950 -1.0 2.0
   64    68   -72    79   0.30600  1.0 3.0
   64    68    72    82   1.26750  1.0 1.0
   64    68    72    82  -0.00950 -1.0 2.0
   64    68    72    82   0.30600  1.0 3.0
   64    68    72    86   1.26750  1.0 1.0
   64    68    72    86  -0.00950 -1.0 2.0
   64    68    72    86   0.30600  1.0 3.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    72   0.00000  1.0 1.0
   68    72    79    80   0.15000  1.0 3.0
   68    72    79    81   0.15000  1.0 3.0
   68    72    79    92   1.26750  1.0 1.0
   68    72    79    92  -0.00950 -1.0 2.0
   68    72    79    92   0.30600  1.0 3.0
   68    72    82    83   0.15000  1.0 3.0
   68    72    82    84   0.15000  1.0 3.0
   68    72    82    85   0.15000  1.0 3.0
   68    72    86    87   0.15000  1.0 3.0
   68    72    86    88   0.15000  1.0 3.0
   68    72    86    89   0.15000  1.0 3.0
   69    68    72    79   0.15000  1.0 3.0
   69    68    72    82   0.15000  1.0 3.0
   69    68    72    86   0.15000  1.0 3.0
   70    68    72    79   0.15000  1.0 3.0
   70    68    72    82   0.15000  1.0 3.0
   70    68    72    86   0.15000  1.0 3.0
   72    79   -92    61   0.38950  1.0 1.0
   72    79   -92    61  -0.47050 -1.0 2.0
   72    79   -92    61   0.83150  1.0 3.0
   72    79    92    93   0.00000  1.0 1.0
   79    72    82    83   0.15000  1.0 3.0
   79    72    82    84   0.15000  1.0 3.0
   79    72    82    85   0.15000  1.0 3.0
   79    72    86    87   0.15000  1.0 3.0
   79    72    86    88   0.15000  1.0 3.0
   79    72    86    89   0.15000  1.0 3.0
   80    79    92    61   0.00000  1.0 1.0
   80    79    92    93   0.00000  1.0 1.0
   81    79    92    61   0.00000  1.0 1.0
   81    79    92    93   0.00000  1.0 1.0
   92    61    64    65   1.00000 -1.0 2.0
   92    61   -64    68   1.17450  1.0 1.0
   92    61   -64    68   0.83550 -1.0 2.0
   82    72    79    80   0.15000  1.0 3.0
   82    72    79    81   0.15000  1.0 3.0
   82    72    79    92   1.26750  1.0 1.0
   82    72    79    92  -0.00950 -1.0 2.0
   82    72    79    92   0.30600  1.0 3.0
   82    72    86    87   0.15000  1.0 3.0
   82    72    86    88   0.15000  1.0 3.0
   82    72    86    89   0.15000  1.0 3.0
   86    72    79    80   0.15000  1.0 3.0
   86    72    79    81   0.15000  1.0 3.0
   86    72    79    92   1.26750  1.0 1.0
   86    72    79    92  -0.00950 -1.0 2.0
   86    72    79    92   0.30600  1.0 3.0
   86    72    82    83   0.15000  1.0 3.0
   86    72    82    84   0.15000  1.0 3.0
   86    72    82    85   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
   37    30    36    38  10.50000 -1.0 2.0
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   45    50    49    39   1.10000 -1.0 2.0
   44    48    47    51  15.00000 -1.0 2.0
   53    52    51    47  15.00000 -1.0 2.0
   51    54    53    56  10.50000 -1.0 2.0
   53    55    54    57  15.00000 -1.0 2.0
   60    58    57    54  15.00000 -1.0 2.0
   62    90    60    57   4.00000 -1.0 2.0
   66    63    62    60   1.10000 -1.0 2.0
   71    67    66    62   1.10000 -1.0 2.0
   73    75    71    66   4.00000 -1.0 2.0
   90    74    73    71   1.10000 -1.0 2.0
   73    91    90    60   1.10000 -1.0 2.0
   64    92    61    59  10.50000 -1.0 2.0
   65    61    64    68   1.00000 -1.0 2.0
   93    61    92    79   1.00000 -1.0 2.0
END
