* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    163    264     486
    1     0 S   NP   _N1_     1    28.75464    96.48947   -24.61259
    2     1 S   H    _HN1     2     1.02792   112.36766   -89.90210
    3     1 S   H    _H1_     3     1.02948    69.57972    12.24568
    4     1 S   H    _H2_     4     1.02828    38.41744   179.19814
    5     1 S   CT   _CA1     5     1.50135   132.49070   111.65999
    6     5 S   HC   _HA1     6     1.09574   105.16127    97.13618
    7     5 S   CO3  _C1_     7     1.53775   112.43393   -23.04850
    8     7 S   O2Z  _O11     8     1.26377   115.00494   -42.74782
    9     7 S   O2Z  _O12     9     1.26235   114.94509   136.22040
   10     5 S   CT   _CB1    10     1.53058   107.39893  -144.91634
   11    10 S   HC   HB11    11     1.09839   109.32532   -49.45572
   12    10 S   HC   HB12    12     1.09811   110.47605    67.13829
   13    10 S   CT   _CG1    13     1.53011   112.64068  -170.40478
   14    13 S   HC   HG11    14     1.09575   110.68781   -66.96673
   15    13 S   HC   HG12    15     1.09670   109.74139    52.28575
   16    13 S   C    _CD1    16     1.51810   112.05530   172.72387
   17    16 S   O    _OE1    17     1.22750   123.20469    10.14920
   18    16 S   N    _N2_    18     1.38628   111.79451  -169.80138
   19    18 S   H    _HN2    19     1.01571   119.04064     1.00405
   20    18 S   CT1  _CA2    20     1.46238   123.41692   177.31883
   21    20 S   HC   _HA2    21     1.09745   109.28519     7.55336
   22    20 S   C    _C2_    22     1.53649   108.82871  -108.02362
   23    22 S   O    _O2_    23     1.23083   122.27648  -148.14416
   24    20 S   CT   _CB2    32     1.53456   111.59396   129.52970
   25    24 S   HC   HB21    33     1.09491   109.67185    57.96270
   26    24 S   HC   HB22    34     1.09432   109.46512   176.85515
   27    22 S   N    _N3_    24     1.38331   113.86786    39.32948
   28    27 S   H    _HN3    25     1.01547   119.63423    -3.05018
   29    24 S   S    _SG2    35     1.83172   110.98535   -63.97163
   30    27 S   CT   _CA3    26     1.45277   123.21606   177.23346
   31    30 S   HC   HA31    27     1.09548   107.50028   -65.06788
   32    30 S   HC   HA32    28     1.09558   108.00096    51.37262
   33    29 S   CT   _C18    36     1.90881   102.75732   167.29968
   34    33 S   OM   _O37    37     1.31844   104.77277   -67.00406
   35    30 S   CO3  _C3_    29     1.52959   114.09283   173.40379
   36    35 S   O2Z  _O31    30     1.26377   116.10470     0.03426
   37    35 S   O2Z  _O32    31     1.26429   114.40582  -179.91153
   38    33 S   CT   _C19    38     1.56046   110.28904    52.03855
   39    38 S   HC   _H5_    39     1.10047   109.52971   -55.44789
   40    33 S   CT   _C17    71     1.60067   105.63465   173.56651
   41    40 S   HC   _H4_    72     1.09848   106.37774    14.25435
   42    38 S   CO4  _C20    40     1.52660   110.35881    60.25490
   43    42 S   O    _O33    41     1.23444   120.39673  -144.91384
   44    40 S   NT   _N5_    73     1.49172   122.01000   131.62051
   45    38 S   C    _C23    84     1.53954   116.97399  -172.92141
   46    45 S   O    _O36    85     1.22926   123.44116  -114.65327
   47    42 S   CT   _C21    42     1.52617   118.25744    37.94970
   48    44 S   CT   _C24    74     1.45565   117.42500    54.52587
   49    48 S   HC   _H17    75     1.09671   109.70739   167.71139
   50    48 S   HC   _H18    76     1.09239   112.24491    50.89887
   51    48 S   HC   _H19    77     1.09296   113.42508   -72.76390
   52    44 S   CT   _C25    78     1.46081   113.68586   -78.15119
   53    52 S   HC   _H20    79     1.09623   110.19484  -168.10632
   54    52 S   HC   _H21    80     1.09348   113.25818    71.26005
   55    52 S   HC   _H22    81     1.09572   111.07820   -50.99526
   56    45 S   N    _N4_    86     1.37431   114.27619    68.44618
   57    56 S   H    _H15    87     1.01581   121.16682    -7.20508
   58    56 S   H    _H16    88     1.01305   120.95094   178.72390
   59    47 S   CO4  _C22    43     1.51936   114.08341  -112.44241
   60    59 S   O    _O34    44     1.23040   120.67301   -31.13656
   61    47 S   OH   _O35    82     1.43464   105.04434   134.72931
   62    61 S   HO   _H14    83     0.97445   107.58109    55.15340
   63    59 S   CA   _C13    45     1.49941   119.50093   151.98078
   64    63 S   CA   _C14    46     1.40371   119.66868     6.16981
   65    63 S   CA   _C12    57     1.40926   120.71603  -174.35444
   66    64 S   CA   _C5_    47     1.42012   119.34736   174.86893
   67    65 S   OH   _O38    58     1.37678   120.59014     1.67736
   68    67 S   HO   _H23    59     0.97226   109.98753    -0.53668
   69    64 S   CT   _C15    66     1.51427   120.13684    -3.69093
   70    69 S   HC   _H12    67     1.09766   107.83628    94.40980
   71    69 S   HC   _H13    68     1.09440   110.66932  -149.19913
   72    66 S   CA   _C6_    48     1.43058   120.65738     7.08961
   73    66 S   CT   _C4_    62     1.51741   119.57827  -174.56012
   74    73 S   HC   _H6_    63     1.09409   110.07359   -95.15810
   75    73 S   HC   _H7_    64     1.09374   112.34934    26.63703
   76    73 S   HC   _H8_    65     1.09439   111.46705   142.87703
   77    47 S   CT   _C16    69     1.52567   111.57235    17.19885
   78    77 S   HC   _H3_    70     1.09657   107.07529    64.94888
   79    72 S   CA   _C7_    49     1.41863   122.12065   174.44342
   80    79 S   HA   _H9_    50     1.08764   121.07541    -1.45064
   81    79 S   CA   _C8_    51     1.39355   122.74117   179.45392
   82    81 S   HA   _H10    52     1.08599   120.09002  -180.00000
   83    81 S   CA   _C9_    53     1.38076   119.58862     0.18345
   84    83 S   HA   _H11    54     1.08597   119.46203  -179.94065
   85    83 S   CA   _C10    55     1.39553   119.30358     0.42151
   86    72 S   CA   _C11    56     1.42028   119.87880    -5.10116
   87    85 S   OH   _O39    60     1.37457   117.26390   179.63470
   88    87 S   HO   _H24    61     0.97161   109.41342    -0.26244
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  15   7  21   7  13   5  12   5   3  12   8
   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15
  10  14   4   1   6   3   2  12   5   2   1   1   1   1   7   4
   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    77    40    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    69    77    78    40    41    44    48    52    45    46    56  
   38    39    42    77    40    41    44    45  
   36    37  
   37  
    0  
   39    42    43    47    59    77    40    41    44    61    45    46    56    57    58  
   42    43    47    40    45    46    56  
   41    44    48    49    50    51    52    53    54    55    61    45    42    47    59    64    69    70    71    77    78  
   44    48    52    47    69    77    78  
   43    47    59    60    63    69    77    78    61    62    45    46    56  
   47    59    77    61    45  
   48    49    50    51    52    53    54    55    47    69    77    78  
   46    56    57    58    47  
   56    57    58  
   59    60    63    64    65    69    70    71    77    78    61    62  
   49    50    51    52    53    54    55    77  
   50    51    52  
   51    52  
   52  
   53    54    55    77  
   54    55  
   55  
    0  
   57    58  
   58  
    0  
   60    63    64    66    86    65    67    69    77    78    61    62  
   63    64    65    77    61  
   62    63    69    77    78  
   77  
   64    66    72    85    86    65    67    68    73    69    70    71    77  
   66    72    79    86    65    67    73    74    75    76    69    70    71    77    78  
   67    68    87    69    66    72    79    83    85    86  
   72    79    80    81    85    86    73    74    75    76    69    70    71    77  
   68    72    85    86  
   86  
   70    71    77    78    72    73  
   71    77    78  
   77    78  
   79    80    81    82    83    85    86    87    73    74    75    76  
   74    75    76    79    86  
   75    76  
   76  
    0  
   78  
    0  
   80    81    82    83    84    85    86  
   81    82    83    86  
   82    83    84    85    86    87  
   83    84    85  
   84    85    86    87    88  
   85    86    87  
   86    87    88  
   87    88  
   88  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    59   317.000  1.522
   47    77   268.000  1.529
   47    61   320.000  1.410
   59    60   570.000  1.229
   59    63   310.000  1.470
   63    64   469.000  1.400
   63    65   469.000  1.400
   64    66   469.000  1.400
   64    69   317.000  1.510
   66    72   469.000  1.400
   66    73   317.000  1.510
   72    79   469.000  1.400
   72    86   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   469.000  1.400
   85    87   450.000  1.364
   86    65   469.000  1.400
   65    67   450.000  1.364
   67    68   553.000  0.945
   87    88   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    40   268.000  1.529
   40    41   340.000  1.090
   40    44   382.000  1.448
   44    48   382.000  1.448
   44    52   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   61    62   553.000  0.945
   45    46   570.000  1.229
   45    56   490.000  1.335
   56    57   434.000  1.010
   56    58   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    45    63.00000  111.10000
   33    40    77    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    56.20000  109.47000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.00000
   38    45    46    80.00000  120.40000
   38    45    56    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    47    59    75.00000  107.99600
   42    47    77    63.00000  111.10000
   42    47    61    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    59    60    80.00000  120.40000
   47    59    63    65.00000  115.47100
   47    77    69    58.35000  112.70000
   47    77    78    37.50000  110.70000
   47    77    40    58.35000  112.70000
   47    61    62    55.00000  108.50000
   59    63    64    60.00000  119.52600
   59    63    65    60.00000  119.52600
   63    59    60    75.00000  123.78400
   63    64    66    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    86    63.00000  120.00000
   63    65    67    70.00000  120.00000
   64    66    72    63.00000  120.00000
   64    66    73    70.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    77    70.00000  112.17500
   66    72    79    63.00000  120.00000
   66    72    86    63.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   72    79    80    35.00000  120.00000
   72    79    81    63.00000  120.00000
   72    86    85    63.00000  120.00000
   72    86    65    63.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    63.00000  120.00000
   83    85    87    70.00000  120.00000
   85    83    84    35.00000  120.00000
   85    86    65    63.00000  120.00000
   85    87    88    35.00000  113.00000
   86    72    79    63.00000  120.00000
   86    65    67    70.00000  120.00000
   65    63    64    63.00000  120.00000
   65    67    68    35.00000  113.00000
   87    85    86    70.00000  120.00000
   73    66    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    64    66    70.00000  120.00000
   69    77    78    37.50000  110.70000
   69    77    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    47    59    63.00000  111.10000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    40    41    37.50000  110.70000
   77    40    44    56.20000  109.47000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    77    78    37.50000  110.70000
   40    44    48    51.80000  107.20000
   40    44    52    51.80000  107.20000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   44    52    53    35.00000  109.50000
   44    52    54    35.00000  109.50000
   44    52    55    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    48    51.80000  107.20000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   61    47    59    90.00000  109.61100
   61    47    77    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    70.00000  107.85200
   45    56    57    35.00000  119.80000
   45    56    58    35.00000  119.80000
   56    45    46    80.00000  122.90000
   58    56    57    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    77   0.44750  1.0 1.0
   29    33    40    77  -0.17800 -1.0 2.0
   29    33    40    77   0.20200  1.0 3.0
   29    33    40    41   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    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   0.60050  1.0 1.0
   33    38    42    47   0.05600 -1.0 2.0
   33    38    42    47   0.26150  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    56   1.39750  1.0 1.0
   33    38    45    56  -0.07950 -1.0 2.0
   33    38    45    56  -0.18750  1.0 3.0
   33    40    44    48   0.23450  1.0 1.0
   33    40    44    48   0.02050 -1.0 2.0
   33    40    44    48   0.25250  1.0 3.0
   33    40    44    52   0.23450  1.0 1.0
   33    40    44    52   0.02050 -1.0 2.0
   33    40    44    52   0.25250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    45  -0.09450  1.0 1.0
   34    33    38    45  -1.12950 -1.0 2.0
   34    33    38    45   0.54000  1.0 3.0
   34    33    40    77   0.62750  1.0 1.0
   34    33    40    77  -0.30950 -1.0 2.0
   34    33    40    77   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.74050  1.0 1.0
   38    33    40    77   0.56750  1.0 1.0
   38    33    40    77  -0.07550 -1.0 2.0
   38    33    40    77   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.85550  1.0 1.0
   38    33    40    44  -0.84100 -1.0 2.0
   38    42    47    59   0.65300  1.0 1.0
   38    42    47    59  -0.03850 -1.0 2.0
   38    42    47    59   0.33900  1.0 3.0
   38    42   -47    77   0.60050  1.0 1.0
   38    42   -47    77   0.05600 -1.0 2.0
   38    42   -47    77   0.26150  1.0 3.0
   38    42    47    61   0.55300  1.0 1.0
   38    42    47    61   1.25850 -1.0 2.0
   38    42    47    61  -0.23600  1.0 3.0
   38    45    56    57   2.45000 -1.0 2.0
   38    45    56    58   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    56   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    56   0.00000  1.0 1.0
   42    47    59    60   0.30150 -1.0 2.0
   42    47    59    63   0.65300  1.0 1.0
   42    47    59    63  -0.03850 -1.0 2.0
   42    47    59    63   0.33900  1.0 3.0
   42    47    77    69  -0.95700  1.0 1.0
   42    47    77    69  -0.18200 -1.0 2.0
   42    47    77    69   0.29450  1.0 3.0
   42    47    77    78  -0.11250  1.0 3.0
   42    47    77    40  -0.95700  1.0 1.0
   42    47    77    40  -0.18200 -1.0 2.0
   42    47    77    40   0.29450  1.0 3.0
   42    47    61    62   0.91850  1.0 1.0
   42    47    61    62   0.57950  1.0 3.0
   43    42    47    59   0.30150 -1.0 2.0
   43    42    47    77   0.30150 -1.0 2.0
   43    42    47    61   0.30150 -1.0 2.0
   47    59    63    64   2.26350  1.0 1.0
   47    59    63    64   0.76750 -1.0 2.0
   47    59    63    64   0.22500  1.0 3.0
   47    59    63    65   2.26350  1.0 1.0
   47    59    63    65   0.76750 -1.0 2.0
   47    59    63    65   0.22500  1.0 3.0
   47    77   -40    33   0.56750  1.0 1.0
   47    77   -40    33  -0.07550 -1.0 2.0
   47    77   -40    33   0.20000  1.0 3.0
   47    77    40    41   0.15000  1.0 3.0
   47    77    40    44   1.85550  1.0 1.0
   47    77    40    44  -0.84100 -1.0 2.0
   59    47    77    69  -0.95700  1.0 1.0
   59    47    77    69  -0.18200 -1.0 2.0
   59    47    77    69   0.29450  1.0 3.0
   59    47    77    78  -0.11250  1.0 3.0
   59    47    77    40  -0.95700  1.0 1.0
   59    47    77    40  -0.18200 -1.0 2.0
   59    47    77    40   0.29450  1.0 3.0
   59    47    61    62   0.91850  1.0 1.0
   59    47    61    62   0.57950  1.0 3.0
   59    63    64    66   3.62500 -1.0 2.0
   59    63   -64    69   3.62500 -1.0 2.0
   59    63    65    86   3.62500 -1.0 2.0
   59    63    65    67   3.62500 -1.0 2.0
   60    59    63    64   1.05000 -1.0 2.0
   60    59    63    65   1.05000 -1.0 2.0
   63    64    66    72   3.62500 -1.0 2.0
   63    64    66    73   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    77   0.04150 -1.0 2.0
   63    65    67    68   0.84100 -1.0 2.0
   64    63    65    86   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   64    66    72    79   3.62500 -1.0 2.0
   64    66   -72    86   3.62500 -1.0 2.0
   64    66    73    74   0.00000  1.0 1.0
   64    66    73    75   0.00000  1.0 1.0
   64    66    73    76   0.00000  1.0 1.0
   64    69   -77    47  -0.03700  1.0 1.0
   64    69   -77    47   0.37200 -1.0 2.0
   64    69   -77    47  -0.47300  1.0 3.0
   64    69    77    78   0.43200  1.0 3.0
   64    69    77    40  -0.03700  1.0 1.0
   64    69    77    40   0.37200 -1.0 2.0
   64    69    77    40  -0.47300  1.0 3.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.00000  1.0 1.0
   66    64    69    77   0.04150 -1.0 2.0
   66    72    79    80   3.62500 -1.0 2.0
   66    72    79    81   3.62500 -1.0 2.0
   66    72    86    85   3.62500 -1.0 2.0
   66    72    86    65   3.62500 -1.0 2.0
   72    66    73    74   0.00000  1.0 1.0
   72    66    73    75   0.00000  1.0 1.0
   72    66    73    76   0.00000  1.0 1.0
   72    79    81    82   3.62500 -1.0 2.0
   72    79    81    83   3.62500 -1.0 2.0
   72    86   -65    63   3.62500 -1.0 2.0
   72    86    65    67   3.62500 -1.0 2.0
   79    72    86    85   3.62500 -1.0 2.0
   79    72    86    65   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81   -83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   81    83    85    87   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85   -86    72   3.62500 -1.0 2.0
   83    85    86    65   3.62500 -1.0 2.0
   83    85    87    88   0.84100 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    86    65    63   3.62500 -1.0 2.0
   85    86    65    67   3.62500 -1.0 2.0
   86    72    79    80   3.62500 -1.0 2.0
   86    72   -79    81   3.62500 -1.0 2.0
   86    85    87    88   0.84100 -1.0 2.0
   86    65    67    68   0.84100 -1.0 2.0
   65    63   -64    66   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   87    85    86    72   3.62500 -1.0 2.0
   87    85    86    65   3.62500 -1.0 2.0
   73    66    72    79   3.62500 -1.0 2.0
   73    66    72    86   3.62500 -1.0 2.0
   69    64    66    72   3.62500 -1.0 2.0
   69    64    66    73   3.62500 -1.0 2.0
   69    77    40    33   0.56750  1.0 1.0
   69    77    40    33  -0.07550 -1.0 2.0
   69    77    40    33   0.20000  1.0 3.0
   69    77    40    41   0.15000  1.0 3.0
   69    77    40    44   1.85550  1.0 1.0
   69    77    40    44  -0.84100 -1.0 2.0
   70    69    77    47   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    40   0.15000  1.0 3.0
   71    69    77    47   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    40   0.15000  1.0 3.0
   77    47    59    60   0.30150 -1.0 2.0
   77    47   -59    63   0.05850 -1.0 2.0
   77    47   -59    63   0.17250  1.0 3.0
   77    47    61    62  -0.11600  1.0 1.0
   77    47    61    62  -0.09450 -1.0 2.0
   77    47    61    62   0.21250  1.0 3.0
   77    40    44    48   0.23450  1.0 1.0
   77    40    44    48   0.02050 -1.0 2.0
   77    40    44    48   0.25250  1.0 3.0
   77    40    44    52   0.23450  1.0 1.0
   77    40    44    52   0.02050 -1.0 2.0
   77    40    44    52   0.25250  1.0 3.0
   78    77    40    33   0.15000  1.0 3.0
   78    77    40    41   0.15000  1.0 3.0
   78    77    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   40    44    48    49   0.28000  1.0 3.0
   40    44    48    50   0.28000  1.0 3.0
   40    44    48    51   0.28000  1.0 3.0
   40    44    52    53   0.28000  1.0 3.0
   40    44    52    54   0.28000  1.0 3.0
   40    44    52    55   0.28000  1.0 3.0
   41    40    44    48   0.28000  1.0 3.0
   41    40    44    52   0.28000  1.0 3.0
   48    44    52    53   0.28000  1.0 3.0
   48    44    52    54   0.28000  1.0 3.0
   48    44    52    55   0.28000  1.0 3.0
   52    44    48    49   0.28000  1.0 3.0
   52    44    48    50   0.28000  1.0 3.0
   52    44    48    51   0.28000  1.0 3.0
   61    47    59    60   0.30150 -1.0 2.0
   61    47    59    63   0.65300  1.0 1.0
   61    47    59    63  -0.03850 -1.0 2.0
   61    47    59    63   0.33900  1.0 3.0
   61    47    77    69   0.86500  1.0 1.0
   61    47    77    69  -0.17500 -1.0 2.0
   61    47    77    69   0.20800  1.0 3.0
   61    47    77    78   0.23400  1.0 3.0
   61    47    77    40   0.86500  1.0 1.0
   61    47    77    40  -0.17500 -1.0 2.0
   61    47    77    40   0.20800  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    47   0.65300  1.0 1.0
   45    38    42    47  -0.03850 -1.0 2.0
   45    38    42    47   0.33900  1.0 3.0
   46    45    56    57   2.45000 -1.0 2.0
   46    45    56    58   2.45000 -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
   36    30    35    37  10.50000 -1.0 2.0
   38    47    42    43  10.50000 -1.0 2.0
   47    63    59    60  10.50000 -1.0 2.0
   64    65    63    59   4.00000 -1.0 2.0
   66    69    64    63   4.00000 -1.0 2.0
   72    73    66    64   4.00000 -1.0 2.0
   79    86    72    66   4.00000 -1.0 2.0
   81    80    79    72   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   86    87    85    83   4.00000 -1.0 2.0
   85    65    86    72   4.00000 -1.0 2.0
   86    67    65    63   4.00000 -1.0 2.0
   38    56    45    46  10.50000 -1.0 2.0
   58    45    56    57   1.00000 -1.0 2.0
END
