* LIGAND DATABASE FILE (OPLS2005)
*
001      93    97    174    278     499
    1     0 S   NP   _N1_     1    28.75952    92.89924   -23.85165
    2     1 S   H    _HN1     2     1.02832    15.74272   178.53420
    3     1 S   H    _H1_     3     1.02775   107.39296   -87.05109
    4     1 S   H    _H2_     4     1.02959    92.79230    23.16207
    5     1 S   CT   _CA1     5     1.50152   123.45917   139.89833
    6     5 S   HC   _HA1     6     1.09581   105.17785    69.61208
    7     5 S   CO3  _C1_     7     1.53742   112.29014   -50.47287
    8     7 S   O2Z  _O11     8     1.26365   114.96126   -44.74237
    9     7 S   O2Z  _O12     9     1.26231   114.88297   134.09907
   10     5 S   CT   _CB1    10     1.53064   107.38810  -172.58947
   11    10 S   HC   HB11    11     1.09833   109.17546   -50.88663
   12    10 S   HC   HB12    12     1.09818   110.49257    65.60780
   13    10 S   CT   _CG1    13     1.53046   112.76497  -171.98046
   14    13 S   HC   HG11    14     1.09597   110.50523   -66.61580
   15    13 S   HC   HG12    15     1.09660   109.93509    52.65647
   16    13 S   C    _CD1    16     1.51848   112.15387   172.88319
   17    16 S   O    _OE1    17     1.22761   123.20283     2.27099
   18    16 S   N    _N2_    18     1.38653   111.80495  -177.56064
   19    18 S   H    _HN2    19     1.01604   119.05158    -0.25101
   20    18 S   CT1  _CA2    20     1.46166   123.19230   178.80417
   21    20 S   HC   _HA2    21     1.09736   109.36703    -7.54210
   22    20 S   C    _C2_    22     1.53424   108.41306  -123.21714
   23    22 S   O    _O2_    23     1.23039   122.14756  -145.64537
   24    20 S   CT   _CB2    32     1.53550   111.89312   114.53157
   25    24 S   HC   HB21    33     1.09321   109.37911    59.97684
   26    24 S   HC   HB22    34     1.09481   109.29028   178.22866
   27    22 S   N    _N3_    24     1.38457   113.56027    41.63888
   28    27 S   H    _HN3    25     1.01507   119.00759    -0.51129
   29    24 S   S    _SG2    35     1.82984   111.38181   -62.53119
   30    27 S   CT   _CA3    26     1.45415   123.22636   175.33977
   31    30 S   HC   HA31    27     1.09539   109.06381    28.64630
   32    30 S   HC   HA32    28     1.09493   107.20676   145.59660
   33    29 S   CT   _C21    36     1.87612   103.36063   168.44343
   34    30 S   CO3  _C3_    29     1.52898   113.05841   -94.69694
   35    34 S   O2Z  _O31    30     1.26401   115.33992   -47.47296
   36    34 S   O2Z  _O32    31     1.26348   115.01755   133.40257
   37    33 S   CT   _C19    37     1.55628   108.43741    48.34747
   38    37 S   HC   _H15    38     1.09580   110.55377   -65.58504
   39    37 S   HC   _H16    39     1.09461   111.33444    52.30056
   40    33 S   CT   _C23    73     1.56978   107.53240   170.84816
   41    40 S   HC   _H21    74     1.09545   112.34946  -171.55547
   42    40 S   HC   _H22    75     1.09141   111.19629    70.97728
   43    37 S   S    _S2_    40     1.83427   116.34263   175.23618
   44    40 S   NAP  _N7_    76     1.49493   115.36381   -49.74994
   45    43 S   C4T  _C20    41     1.82432    99.20115    38.48179
   46    45 S   HC   _H17    42     1.09511   113.80926  -112.12764
   47    44 S   CA   _C8_    77     1.35691   119.71708   -80.07015
   48    47 S   HA   _H7_    78     1.08138   117.36430    -0.91279
   49    45 S   C4T  _C4_    43     1.55852   115.93071   112.91078
   50    49 S   HC   _H4_    44     1.09590   113.64923   132.63691
   51    45 S   N4   _N9_    47     1.44788   110.91702    15.86810
   52    47 S   CA   _C6_    79     1.39591   121.70937   179.44152
   53    52 S   HA   _H5_    80     1.08620   119.84858  -178.68686
   54    49 S   C4   _C5_    45     1.55383    84.98178  -114.32397
   55    54 S   O    _O1_    46     1.20888   136.91763  -179.65057
   56    33 S   CT1  _C24    48     1.56996   108.54395   -69.49388
   57    56 S   HC   _H25    49     1.09630   110.32397    37.86169
   58    49 S   N    _N4_    53     1.47728   116.84556     0.69745
   59    58 S   H    _H3_    54     1.01749   118.98366    13.33484
   60    52 S   CA   _C7_    81     1.38741   120.03526     1.67538
   61    60 S   HA   _H6_    82     1.08453   120.89160  -179.69610
   62    56 S   CO3  _C25    50     1.54551   115.36856   -80.06386
   63    62 S   O2Z  _O4_    51     1.26344   114.86402    82.96257
   64    62 S   O2Z  _O5_    52     1.26388   115.66018   -95.91862
   65    58 S   C    _C15    55     1.37819   122.96195  -163.44799
   66    65 S   O    _O33    56     1.22028   128.45985    -3.38917
   67    60 S   CA   _C10    83     1.37737   117.63022     1.72192
   68    65 S   CD   _C14    57     1.50699   112.63438   175.57871
   69    44 S   CA   _C12    84     1.35398   121.75046   104.37085
   70    68 S   C5B  _C11    58     1.45355   119.68978   -76.62857
   71    68 S   NI   _N6_    67     1.29803   121.73498   102.77459
   72    69 S   CT   _C17    85     1.50543   128.30724    -0.55036
   73    72 S   HC   _H11    86     1.09280   110.76222   -79.14232
   74    72 S   HC   _H12    87     1.09221   113.35719    45.52335
   75    70 S   C5A  _C9_    59     1.38172   125.54780  -177.54872
   76    75 S   HA   _H8_    60     1.08110   128.84596     0.62963
   77    71 S   OS   _O3_    68     1.40183   111.39725    -0.38614
   78    72 S   CT   _C18    88     1.53669   101.17859   163.75551
   79    78 S   HC   _H13    89     1.09910   109.04482   -88.65623
   80    78 S   HC   _H14    90     1.09450   112.41138   152.76116
   81    75 S   SA   _S1_    61     1.71114   110.16533  -179.23128
   82    77 S   CT   _C22    69     1.41971   108.17218   179.33677
   83    82 S   HC   _H18    70     1.09316   108.47338  -179.98022
   84    82 S   HC   _H19    71     1.09443   110.33426    60.98951
   85    82 S   HC   _H20    72     1.09443   110.33697   -60.96784
   86    67 S   CT   _C16    91     1.49483   128.00700   179.42939
   87    86 S   HC   _H9_    92     1.09355   112.63498   -42.61929
   88    86 S   HC   _H10    93     1.09482   110.16892    80.72876
   89    81 S   CRA  _C13    62     1.72307    89.94937     0.10835
   90    70 S   N5B  _N5_    63     1.38847   120.08255     3.25792
   91    89 S   NE   _N8_    64     1.34562   120.30742   179.66487
   92    91 S   H    _H23    65     1.01463   121.98052  -179.89721
   93    91 S   H    _H24    66     1.01442   122.20295    -0.04846
  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
  18   2   1   1  14   5   4  14   5   4   8  13  12   6   8   4
  10   6   8   6   3   7   2   4   3   6   3   8   3   2   1   1
   7   3  10   9   9   8   7   8   5   4   5   3   4   5   4   3
   5   3   2   1   1   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    62    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    51    56    57    62    63    64    40    41    42    44    47    69  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    62    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    67    69    72    43    51    56    57    62  
   42    44    47    69    56  
   44    47    69    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    67    69    72    73    74    78    86    56  
   46    49    50    54    55    51    56    57    62    58    59    65  
   49    50    54    51    56    58  
   48    52    53    60    61    67    69    72  
   52    53    60    69  
   50    54    55    51    56    58    59    65    66    68  
   54    55    51    58    59    65  
   56    57    62    63    64    58    54    55  
   53    60    61    67    69    86  
   60    61    67  
   55    56    57    62    58    59    65  
   56    58  
   57    62    63    64  
   62    63    64  
   59    65    66    68    70    71  
   65    66    68  
   61    67    69    72    78    86    87    88  
   67    69    86  
   63    64  
   64  
    0  
   66    68    70    75    90    71    77  
   68    70    71  
   69    72    73    74    78    79    80    86    87    88  
   70    75    76    81    89    90    71    77    82  
   72    73    74    78    79    80    86    87    88  
   75    76    81    89    90    91    71    77  
   77    82    83    84    85    75    90  
   73    74    78    79    80    86    87    88  
   74    78    79    80    86  
   78    79    80    86  
   76    81    89    90    91  
   81    89    90  
   82    83    84    85  
   79    80    86    87    88  
   80    86    87    88  
   86    87    88  
   89    90    91    92    93  
   83    84    85  
   84    85  
   85  
    0  
   87    88  
   88  
    0  
   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   0.167500   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   0.047500   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   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   71   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   72   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   77   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   82   3.5000   0.0660   0.042500   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  -0.005000   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   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   90   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   91   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   93   0.5000   0.0300   0.360000   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    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    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    54   250.000  1.540
   49    58   337.000  1.449
   54    55   930.000  1.212
   54    51   440.000  1.369
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    62   317.000  1.522
   62    63   656.000  1.250
   62    64   656.000  1.250
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    68   270.000  1.486
   68    70   305.000  1.466
   68    71   500.000  1.261
   70    75   520.000  1.370
   70    90   410.000  1.394
   75    76   367.000  1.080
   75    81   265.000  1.745
   81    89   250.000  1.765
   89    90   488.000  1.335
   89    91   420.000  1.385
   91    92   434.000  1.010
   91    93   434.000  1.010
   71    77   320.000  1.394
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   280.000  1.457
   44    47   485.000  1.342
   44    69   485.000  1.342
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    69   469.000  1.400
   67    86   317.000  1.510
   69    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    86   268.000  1.529
   86    87   340.000  1.090
   86    88   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    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    51    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  109.47200
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    51    54   100.00000   93.00000
   45    51    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    51    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    65    50.00000  121.90000
   54    49    50    40.00000  113.37500
   54    51    56    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    54    55    75.00000  131.60000
   51    56    57    35.00000  109.50000
   51    56    62    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    62    63    70.00000  117.00000
   56    62    64    70.00000  117.00000
   62    56    57    35.00000  109.50000
   64    62    63    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    65    66    80.00000  122.90000
   58    65    68    75.00000  109.57000
   65    58    59    35.00000  119.80000
   65    68    70    75.00000  114.44000
   65    68    71    65.00000  123.79500
   68    65    66    80.00000  120.45000
   68    70    75    60.00000  121.09900
   68    70    90    60.00000  126.00000
   68    71    77   100.00000  109.52600
   70    75    76    35.00000  130.70000
   70    75    81    80.00000  111.29200
   70    90    89    70.00000  110.00000
   75    81    89   120.00000   89.04400
   81    75    76    40.00000  122.38200
   81    89    90    80.00000  114.57700
   81    89    91    70.00000  122.29500
   89    91    92    35.00000  113.50000
   89    91    93    35.00000  113.50000
   90    70    75    70.00000  111.00000
   91    89    90    75.00000  125.31200
   93    91    92    35.00000  109.00000
   71    68    70    65.00000  124.33800
   71    77    82   110.00000  106.71400
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    70.00000  119.18700
   40    44    69    70.00000  119.18700
   42    40    41    33.00000  107.80000
   44    40    41    50.00000  106.41000
   44    40    42    50.00000  106.41000
   44    47    48    45.00000  112.84900
   44    47    52    70.00000  119.29800
   44    69    67    70.00000  119.29800
   44    69    72    70.00000  116.21300
   47    52    53    35.00000  120.00000
   47    52    60    63.00000  120.00000
   52    47    48    35.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    67    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    67    69    63.00000  120.00000
   60    67    86    70.00000  120.00000
   67    60    61    35.00000  120.00000
   67    69    72    70.00000  120.00000
   67    86    78    70.00000  112.17500
   67    86    87    35.00000  109.50000
   67    86    88    35.00000  109.50000
   69    44    47    70.00000  123.81700
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    78    70.00000  112.17500
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    86    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   80    78    79    33.00000  107.80000
   86    67    69    70.00000  120.00000
   86    78    79    37.50000  110.70000
   86    78    80    37.50000  110.70000
   88    86    87    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    51   0.71400  1.0 1.0
   29    33    56    51   0.04300 -1.0 2.0
   29    33    56    51   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62  -2.17200  1.0 1.0
   29    33    56    62  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    62    63   0.00000  1.0 1.0
   33    56    62    64   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   33    40    44    69   0.00000  1.0 1.0
   37    33    56    51   0.42250  1.0 1.0
   37    33    56    51  -0.48100 -1.0 2.0
   37    33    56    51   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    62  -0.84850  1.0 1.0
   37    33    56    62  -0.22800 -1.0 2.0
   37    33    56    62   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.56750  1.0 1.0
   37    33    40    44  -0.07550 -1.0 2.0
   37    33    40    44   0.20000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45   -51    54   0.00000  1.0 1.0
   43    45    51    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    51   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    65  -0.43950  1.0 1.0
   45    49    58    65  -0.08100 -1.0 2.0
   45    49    58    65   0.03350  1.0 3.0
   45    51   -56    33   0.00000  1.0 1.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    62   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45   -51    54   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45   -51    54   0.00000  1.0 1.0
   49    45    51    56   0.00000  1.0 1.0
   49    54   -51    45   3.00000 -1.0 2.0
   49    54   -51    56   3.00000 -1.0 2.0
   49    58    65    66   3.04450 -1.0 2.0
   49    58    65    68   1.49850  1.0 1.0
   49    58    65    68   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    51   0.00000  1.0 1.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    65   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    65  -0.42300  1.0 1.0
   54    49    58    65  -0.07000 -1.0 2.0
   54    49    58    65   0.04150  1.0 3.0
   54    51    56    33   0.00000  1.0 1.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    62   0.00000  1.0 1.0
   55    54   -51    45   3.00000 -1.0 2.0
   55    54    51    56   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    54   3.00000 -1.0 2.0
   51    45    49    58   2.20050  1.0 1.0
   51    45    49    58   0.63450 -1.0 2.0
   51    45    49    58  -0.91300  1.0 3.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   0.56750  1.0 1.0
   56    33    40    44  -0.07550 -1.0 2.0
   56    33    40    44   0.20000  1.0 3.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    51   0.00000  1.0 1.0
   58    65    68    70   1.50000 -1.0 2.0
   58    65    68    71   1.50000 -1.0 2.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    68   2.56700 -1.0 2.0
   65    68    70    75   0.30050 -1.0 2.0
   65    68    70    75   0.16600  1.0 3.0
   65    68    70    90   0.30050 -1.0 2.0
   65    68    70    90   0.16600  1.0 3.0
   65    68    71    77   6.00000 -1.0 2.0
   66    65    68    70   1.00000 -1.0 2.0
   66    65    68    71   1.00000 -1.0 2.0
   68    70    75    76   3.62500 -1.0 2.0
   68    70    75    81   3.62500 -1.0 2.0
   68    70    90    89   3.62500 -1.0 2.0
   68    71    77    82   1.50000 -1.0 2.0
   70    68    71    77   6.00000 -1.0 2.0
   70    75   -81    89   3.62500 -1.0 2.0
   75    70   -90    89   2.40000 -1.0 2.0
   75    81   -89    90   3.62500 -1.0 2.0
   75    81    89    91   3.62500 -1.0 2.0
   76    75    81    89   3.62500 -1.0 2.0
   81    89   -90    70   3.62500 -1.0 2.0
   81    89    91    92   0.47600 -1.0 2.0
   81    89    91    93   0.47600 -1.0 2.0
   90    70    75    76   3.62500 -1.0 2.0
   90    70   -75    81   3.62500 -1.0 2.0
   90    89    91    92   1.75000 -1.0 2.0
   90    89    91    93   1.75000 -1.0 2.0
   91    89    90    70   3.62500 -1.0 2.0
   71    68    70    75   1.02250 -1.0 2.0
   71    68    70    90   1.02250 -1.0 2.0
   71    77    82    83   0.37500  1.0 3.0
   71    77    82    84   0.37500  1.0 3.0
   71    77    82    85   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    51   0.42250  1.0 1.0
   40    33    56    51  -0.48100 -1.0 2.0
   40    33    56    51   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    62  -0.84850  1.0 1.0
   40    33    56    62  -0.22800 -1.0 2.0
   40    33    56    62   0.29250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    52   3.62500 -1.0 2.0
   40    44    69    67   3.62500 -1.0 2.0
   40    44    69    72   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    69   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    69   0.00000  1.0 1.0
   44    47    52    53   3.62500 -1.0 2.0
   44    47    52    60   3.62500 -1.0 2.0
   44    69    72    73   0.00000  1.0 1.0
   44    69    72    74   0.00000  1.0 1.0
   44    69    72    78   0.29300  1.0 1.0
   44    69    72    78  -1.19700 -1.0 2.0
   44    69    72    78   0.60900  1.0 3.0
   47    44    69    67   3.62500 -1.0 2.0
   47    44    69    72   3.62500 -1.0 2.0
   47    52    60    61   3.62500 -1.0 2.0
   47    52   -60    67   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    60   3.62500 -1.0 2.0
   52    60    67    69   3.62500 -1.0 2.0
   52    60    67    86   3.62500 -1.0 2.0
   53    52    60    61   3.62500 -1.0 2.0
   53    52    60    67   3.62500 -1.0 2.0
   60    67   -69    44   3.62500 -1.0 2.0
   60    67    69    72   3.62500 -1.0 2.0
   60    67    86    78   0.04150 -1.0 2.0
   60    67    86    87   0.00000  1.0 1.0
   60    67    86    88   0.00000  1.0 1.0
   61    60    67    69   3.62500 -1.0 2.0
   61    60    67    86   3.62500 -1.0 2.0
   67    69    72    73   0.00000  1.0 1.0
   67    69    72    74   0.00000  1.0 1.0
   67    69   -72    78   0.04150 -1.0 2.0
   69    44    47    48   3.62500 -1.0 2.0
   69    44   -47    52   3.62500 -1.0 2.0
   69    67   -86    78   0.04150 -1.0 2.0
   69    67    86    87   0.00000  1.0 1.0
   69    67    86    88   0.00000  1.0 1.0
   69    72    78    79   0.43200  1.0 3.0
   69    72    78    80   0.43200  1.0 3.0
   69    72   -78    86  -0.03700  1.0 1.0
   69    72   -78    86   0.37200 -1.0 2.0
   69    72   -78    86  -0.47300  1.0 3.0
   72    78   -86    67  -0.03700  1.0 1.0
   72    78   -86    67   0.37200 -1.0 2.0
   72    78   -86    67  -0.47300  1.0 3.0
   72    78    86    87   0.15000  1.0 3.0
   72    78    86    88   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    86   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    86   0.15000  1.0 3.0
   79    78    86    67   0.43200  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   80    78    86    67   0.43200  1.0 3.0
   80    78    86    87   0.15000  1.0 3.0
   80    78    86    88   0.15000  1.0 3.0
   86    67    69    44   3.62500 -1.0 2.0
   86    67   -69    72   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   49    51    54    55  10.50000 -1.0 2.0
   56    54    51    45   1.00000 -1.0 2.0
   63    56    62    64  10.50000 -1.0 2.0
   59    65    58    49   1.00000 -1.0 2.0
   58    68    65    66  10.50000 -1.0 2.0
   65    70    68    71  10.50000 -1.0 2.0
   75    90    70    68   4.00000 -1.0 2.0
   81    76    75    70   1.10000 -1.0 2.0
   90    91    89    81   4.00000 -1.0 2.0
   93    89    91    92   1.00000 -1.0 2.0
   47    69    44    40   4.00000 -1.0 2.0
   52    48    47    44   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   67    61    60    52   1.10000 -1.0 2.0
   69    86    67    60   4.00000 -1.0 2.0
   67    72    69    44   4.00000 -1.0 2.0
END
