* LIGAND DATABASE FILE (OPLS2005)
*
001      93    96    169    266     484
    1     0 S   NP   _N1_     1    30.88864    91.60667   -17.22355
    2     1 S   H    _HN1     2     1.02797    95.35342   -38.77245
    3     1 S   H    _H1_     3     1.03243   142.56478    89.28345
    4     1 S   H    _H2_     4     1.02793    35.99587    74.64657
    5     1 S   CT   _CA1     5     1.50162    86.31011  -150.57264
    6     5 S   HC   _HA1     6     1.09549   105.41334    37.16245
    7     5 S   CO3  _C1_     7     1.53626   112.58612   -83.58904
    8     7 S   O2Z  _O11     8     1.26316   115.01428   -49.06855
    9     7 S   O2Z  _O12     9     1.26203   115.02731   130.33117
   10     5 S   CT   _CB1    10     1.52829   107.07381   155.30920
   11    10 S   HC   HB11    11     1.09861   109.44110   -50.56589
   12    10 S   HC   HB12    12     1.09751   109.96074    65.44852
   13    10 S   CT   _CG1    13     1.53102   113.33240  -172.07115
   14    13 S   HC   HG11    14     1.09554   111.36845   -65.95920
   15    13 S   HC   HG12    15     1.09564   110.87121    53.89073
   16    13 S   C    _CD1    16     1.51366   109.13987   173.21511
   17    16 S   O    _OE1    17     1.22798   121.84122   -99.44078
   18    16 S   N    _N2_    18     1.38363   112.74020    77.86845
   19    18 S   H    _HN2    19     1.01548   119.07034     8.43522
   20    18 S   CT1  _CA2    20     1.46171   123.36218  -168.47499
   21    20 S   HC   _HA2    21     1.09727   109.12263     9.89306
   22    20 S   C    _C2_    22     1.53298   108.97078  -106.74217
   23    22 S   O    _O2_    23     1.23063   122.13709  -138.56463
   24    20 S   CT   _CB2    32     1.53849   111.22954   130.91630
   25    24 S   HC   HB21    33     1.09335   108.67936    67.40711
   26    24 S   HC   HB22    34     1.09414   109.65087  -174.39552
   27    22 S   N    _N3_    24     1.38429   113.66876    48.00779
   28    27 S   H    _HN3    25     1.01497   119.20732     1.36902
   29    24 S   S    _SG2    35     1.83097   111.54095   -52.67371
   30    27 S   CT   _CA3    26     1.45413   123.00792   176.48392
   31    30 S   HC   HA31    27     1.09554   108.77493    32.74696
   32    30 S   HC   HA32    28     1.09487   107.22064   149.62617
   33    29 S   CT   _C14    36     1.87964   103.31101  -175.57393
   34    30 S   CO3  _C3_    29     1.52936   113.47021   -90.44595
   35    34 S   O2Z  _O31    30     1.26372   115.55153   -42.49470
   36    34 S   O2Z  _O32    31     1.26383   114.88486   138.46509
   37    33 S   CT   _C15    37     1.55854   112.44252   -41.05234
   38    37 S   HC   _H13    38     1.09297   110.89491    64.31471
   39    37 S   HC   _H14    39     1.09640   109.93689  -178.88776
   40    33 S   CT   _C16    73     1.56387   105.62023    78.75119
   41    40 S   HC   _H15    74     1.09584   110.92787    58.41567
   42    40 S   HC   _H16    75     1.09354   109.88602   -56.56328
   43    37 S   S    _S2_    40     1.82430   116.60562   -57.84432
   44    40 S   NE   _N9_    76     1.45015   114.17916  -179.35898
   45    43 S   C4T  _C11    41     1.82102    98.08413   -55.01855
   46    45 S   HC   _H4_    42     1.09466   114.32986   -83.37850
   47    44 S   CM   _C17    77     1.37761   129.19940   -83.05246
   48    47 S   HC   _H17    78     1.07813   120.93668     2.08563
   49    45 S   C4T  _C10    43     1.55551   115.89989   140.31204
   50    49 S   HC   _H3_    44     1.09749   113.62288   145.05473
   51    45 S   N4   _N8_    47     1.45934   109.99068    44.07405
   52    47 S   CM   _C18    79     1.34308   110.76496  -177.50966
   53    52 S   HC   _H18    80     1.07773   127.32549   179.85873
   54    49 S   C4   _C12    45     1.54881    85.05628  -103.33244
   55    54 S   O    _O35    46     1.20995   135.77859   171.21911
   56    33 S   CT1  _C13    48     1.56786   108.33113  -160.32171
   57    56 S   HC   _H5_    49     1.09991   105.61894   178.87796
   58    49 S   N    _N7_    53     1.47583   119.71713    11.31679
   59    58 S   H    _H12    54     1.02096   119.38767  -114.03319
   60    52 S   CG   _C19    81     1.48889   106.79753     1.29316
   61    56 S   CO3  _C22    50     1.55171   122.44396   -64.77269
   62    61 S   O2Z  _O38    51     1.25999   116.88738    13.15262
   63    61 S   O2Z  _O37    52     1.26675   114.28823  -165.71854
   64    58 S   C    _C9_    55     1.37894   123.30310    70.92789
   65    64 S   O    _O34    56     1.22066   128.31889    -2.78235
   66    44 S   NG   _N10    82     1.45848   123.53330   102.44688
   67    60 S   NG   _N11    91     1.31841   120.93617   179.19863
   68    67 S   H    _H24    92     1.01364   120.72534     0.68300
   69    67 S   H    _H25    93     1.01251   120.83038  -179.58836
   70    64 S   CD   _C5_    57     1.50809   112.76257   176.31331
   71    66 S   CT   _C20    83     1.46707   127.57638     0.15577
   72    71 S   HC   _H19    84     1.09516   108.31636  -141.13208
   73    71 S   HC   _H20    85     1.09093   110.02568   -23.69926
   74    70 S   C5B  _C6_    58     1.45296   119.55129   -97.59467
   75    70 S   NI   _N4_    67     1.29882   122.02659    81.93388
   76    71 S   CT   _C21    86     1.52186   109.89902    98.41155
   77    76 S   HC   _H21    87     1.09418   111.56514    49.64546
   78    76 S   HC   _H22    88     1.09438   109.84033   170.50415
   79    74 S   C5A  _C7_    59     1.38197   125.44844   177.32526
   80    79 S   HA   _H9_    60     1.08102   128.81226     0.23903
   81    75 S   OS   _O33    68     1.40051   111.61132     0.17246
   82    76 S   OH   _O36    89     1.42101   109.84536   -70.86908
   83    82 S   HO   _H23    90     0.97265   107.25008  -178.80942
   84    79 S   SA   _S1_    61     1.71078   110.17799  -179.28976
   85    81 S   CT   _C4_    69     1.41961   108.27582  -177.14693
   86    85 S   HC   _H6_    70     1.09323   108.47986   178.60422
   87    85 S   HC   _H7_    71     1.09450   110.38760    59.62460
   88    85 S   HC   _H8_    72     1.09425   110.29290   -62.32743
   89    84 S   CRA  _C8_    62     1.72280    89.90697    -0.03426
   90    74 S   N5B  _N5_    63     1.38804   120.16534    -2.02468
   91    89 S   NE   _N6_    64     1.34651   120.35220  -180.00000
   92    91 S   H    _H10    65     1.01400   121.42883  -179.97202
   93    91 S   H    _H11    66     1.01387   121.97595    -0.14402
  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  12  12   6   7   4
  10   6   8   7   3   7   2   4   3   6   3   8   2   1   1   7
   3  10   3   1   1   9   7   5   4   8   7   4   3   2   5   3
   4   1   1   5   3   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    61    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    61    62    63    40    41    42    44    47    66  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    61    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    60    66    71    43    51    56    57    61  
   42    44    47    66    56  
   44    47    66    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    66    71    72    73    76    67    56  
   46    49    50    54    55    51    56    57    61    58    59    64  
   49    50    54    51    56    58  
   48    52    53    60    66    71    67  
   52    53    60    66  
   50    54    55    51    56    58    59    64    65    70  
   54    55    51    58    59    64  
   56    57    61    62    63    58    54    55  
   53    60    66    71    67    68    69  
   60    66    67  
   55    56    57    61    58    59    64  
   56    58  
   57    61    62    63  
   61    62    63  
   59    64    65    70    74    75  
   64    65    70  
   66    71    72    73    76    67    68    69  
   62    63  
   63  
    0  
   65    70    74    79    90    75    81  
   70    74    75  
   71    72    73    76    77    78    82    67    68    69  
   68    69    71  
   69  
    0  
   74    79    80    84    89    90    75    81    85  
   72    73    76    77    78    82    83  
   73    76    77    78    82  
   76    77    78    82  
   79    80    84    89    90    91    75    81  
   81    85    86    87    88    79    90  
   77    78    82    83  
   78    82    83  
   82    83  
   80    84    89    90    91  
   84    89    90  
   85    86    87    88  
   83  
    0  
   89    90    91    92    93  
   86    87    88  
   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   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   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  -0.253300   1.9050   1.6860   0.051222218  -2.220205820
   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   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   2.2500   0.0500   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.2500   0.1700   0.270800   1.9050   1.6860   0.051222218  -2.220205820
   67   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   68   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660   0.051000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   75   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   81   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   85   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   58    59   434.000  1.010
   58    64   490.000  1.335
   64    65   570.000  1.229
   64    70   270.000  1.486
   70    74   305.000  1.466
   70    75   500.000  1.261
   74    79   520.000  1.370
   74    90   410.000  1.394
   79    80   367.000  1.080
   79    84   265.000  1.745
   84    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
   75    81   320.000  1.394
   81    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   382.000  1.448
   44    47   425.000  1.378
   44    66   255.000  1.385
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   340.000  1.080
   52    60   400.000  1.403
   60    66   481.000  1.340
   60    67   481.000  1.340
   66    71   337.000  1.463
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   320.000  1.410
   82    83   553.000  0.945
   67    68   434.000  1.010
   67    69   434.000  1.010
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    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    80.00000  111.61500
   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    64    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    61    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    64    65    80.00000  122.90000
   58    64    70    75.00000  109.57000
   64    58    59    35.00000  119.80000
   64    70    74    75.00000  114.44000
   64    70    75    65.00000  123.79500
   70    64    65    80.00000  120.45000
   70    74    79    60.00000  121.09900
   70    74    90    60.00000  126.00000
   70    75    81   100.00000  109.52600
   74    79    80    35.00000  130.70000
   74    79    84    80.00000  111.29200
   74    90    89    70.00000  110.00000
   79    84    89   120.00000   89.04400
   84    79    80    40.00000  122.38200
   84    89    90    80.00000  114.57700
   84    89    91    70.00000  122.29500
   89    91    92    35.00000  113.50000
   89    91    93    35.00000  113.50000
   90    74    79    70.00000  111.00000
   91    89    90    75.00000  125.31200
   93    91    92    35.00000  109.00000
   75    70    74    65.00000  124.33800
   75    81    85   110.00000  106.71400
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    50.00000  121.00000
   40    44    66    90.00000  111.48000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    50.00000  112.30800
   44    47    52    70.00000  124.03900
   44    66    60    80.00000  117.76000
   44    66    71    95.00000  111.84000
   47    52    53    35.00000  120.00000
   47    52    60    65.00000  121.68800
   52    47    48    35.00000  120.00000
   52    60    66    70.00000  121.25000
   52    60    67    70.00000  121.25000
   60    52    53    40.00000  116.17200
   60    66    71    50.00000  123.20000
   60    67    68    35.00000  120.00000
   60    67    69    35.00000  120.00000
   66    44    47    85.00000  113.08000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    76    80.00000  111.20000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    50.00000  109.50000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    55.00000  108.50000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   67    60    66    70.00000  120.00000
   69    67    68    35.00000  120.00000
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    61  -2.17200  1.0 1.0
   29    33    56    61  -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    61    62   0.00000  1.0 1.0
   33    56    61    63   0.00000  1.0 1.0
   33    40    44    47   0.25450  1.0 1.0
   33    40    44    47  -0.61700 -1.0 2.0
   33    40    44    47  -0.23550  1.0 3.0
   33    40    44    66  -0.50000 -1.0 2.0
   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    61  -0.84850  1.0 1.0
   37    33    56    61  -0.22800 -1.0 2.0
   37    33    56    61   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   1.26750  1.0 1.0
   37    33    40    44  -0.00950 -1.0 2.0
   37    33    40    44   0.30600  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    64  -0.43950  1.0 1.0
   45    49    58    64  -0.08100 -1.0 2.0
   45    49    58    64   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    61   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    64    65   3.04450 -1.0 2.0
   49    58    64    70   1.49850  1.0 1.0
   49    58    64    70   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    64   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    64  -0.42300  1.0 1.0
   54    49    58    64  -0.07000 -1.0 2.0
   54    49    58    64   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    61   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    61    62   0.00000  1.0 1.0
   51    56    61    63   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   1.26750  1.0 1.0
   56    33    40    44  -0.00950 -1.0 2.0
   56    33    40    44   0.30600  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   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    64    70    74   1.50000 -1.0 2.0
   58    64    70    75   1.50000 -1.0 2.0
   59    58    64    65   2.45000 -1.0 2.0
   59    58    64    70   2.56700 -1.0 2.0
   64    70    74    79   0.30050 -1.0 2.0
   64    70    74    79   0.16600  1.0 3.0
   64    70    74    90   0.30050 -1.0 2.0
   64    70    74    90   0.16600  1.0 3.0
   64    70    75    81   6.00000 -1.0 2.0
   65    64    70    74   1.00000 -1.0 2.0
   65    64    70    75   1.00000 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    84   3.62500 -1.0 2.0
   70    74    90    89   3.62500 -1.0 2.0
   70    75    81    85   1.50000 -1.0 2.0
   74    70    75    81   6.00000 -1.0 2.0
   74    79   -84    89   3.62500 -1.0 2.0
   79    74   -90    89   2.40000 -1.0 2.0
   79    84   -89    90   3.62500 -1.0 2.0
   79    84    89    91   3.62500 -1.0 2.0
   80    79    84    89   3.62500 -1.0 2.0
   84    89   -90    74   3.62500 -1.0 2.0
   84    89    91    92   0.47600 -1.0 2.0
   84    89    91    93   0.47600 -1.0 2.0
   90    74    79    80   3.62500 -1.0 2.0
   90    74   -79    84   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    74   3.62500 -1.0 2.0
   75    70    74    79   1.02250 -1.0 2.0
   75    70    74    90   1.02250 -1.0 2.0
   75    81    85    86   0.37500  1.0 3.0
   75    81    85    87   0.37500  1.0 3.0
   75    81    85    88   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    61  -0.84850  1.0 1.0
   40    33    56    61  -0.22800 -1.0 2.0
   40    33    56    61   0.29250  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    52  -0.54700  1.0 1.0
   40    44    47    52   1.23000 -1.0 2.0
   40    44    66    60   0.00000  1.0 1.0
   40    44    66    71   0.00000  1.0 1.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    66   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    66   0.00000  1.0 1.0
   44    47    52    53   7.00000 -1.0 2.0
   44    47   -52    60   7.00000 -1.0 2.0
   44    66    71    72   0.00000  1.0 1.0
   44    66    71    73   0.00000  1.0 1.0
   44    66    71    76  -0.50000 -1.0 2.0
   47    44   -66    60   0.00000  1.0 1.0
   47    44    66    71   0.00000  1.0 1.0
   47    52   -60    66   1.09700  1.0 1.0
   47    52   -60    66   0.56350 -1.0 2.0
   47    52   -60    66   0.49350  1.0 3.0
   47    52    60    67   1.09700  1.0 1.0
   47    52    60    67   0.56350 -1.0 2.0
   47    52    60    67   0.49350  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    60   7.00000 -1.0 2.0
   52    60   -66    44   4.00000 -1.0 2.0
   52    60    66    71  -0.54700  1.0 1.0
   52    60    66    71   1.23000 -1.0 2.0
   52    60    67    68   1.50000 -1.0 2.0
   52    60    67    69   1.50000 -1.0 2.0
   53    52    60    66   0.97550 -1.0 2.0
   53    52    60    67   0.97550 -1.0 2.0
   60    66    71    72   0.08850  1.0 3.0
   60    66    71    73   0.08850  1.0 3.0
   60    66    71    76   0.25550 -1.0 2.0
   66    44    47    48   0.00000  1.0 1.0
   66    44   -47    52  -0.94800  1.0 1.0
   66    44   -47    52   2.88400 -1.0 2.0
   66    60    67    68   1.50000 -1.0 2.0
   66    60    67    69   1.50000 -1.0 2.0
   66    71    76    77  -0.29100  1.0 3.0
   66    71    76    78  -0.29100  1.0 3.0
   66    71    76    82   4.07950  1.0 1.0
   66    71    76    82  -0.26450 -1.0 2.0
   66    71    76    82  -0.12150  1.0 3.0
   71    76    82    83  -0.11600  1.0 1.0
   71    76    82    83  -0.09450 -1.0 2.0
   71    76    82    83   0.21250  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    82   0.23400  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    82   0.23400  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   78    76    82    83   0.19450  1.0 3.0
   67    60    66    44   4.00000 -1.0 2.0
   67    60    66    71   3.96800 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  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
   62    56    61    63  10.50000 -1.0 2.0
   59    64    58    49   1.00000 -1.0 2.0
   58    70    64    65  10.50000 -1.0 2.0
   64    74    70    75  10.50000 -1.0 2.0
   79    90    74    70   4.00000 -1.0 2.0
   84    80    79    74   1.10000 -1.0 2.0
   90    91    89    84   4.00000 -1.0 2.0
   93    89    91    92   1.00000 -1.0 2.0
   66    47    44    40   1.00000 -1.0 2.0
   44    48    47    52   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   66    52    60    67  10.50000 -1.0 2.0
   71    60    66    44   1.00000 -1.0 2.0
   68    69    67    60   1.00000 -1.0 2.0
END
