* LIGAND DATABASE FILE (OPLS2005)
*
001      91    93    166    245     477
    1     0 S   NP   _N1_     1    30.40530   100.36257   -20.43391
    2     1 S   H    _HN1     2     1.03469   165.94934  -159.56647
    3     1 S   H    _H1_     3     1.02860    63.91181  -102.01281
    4     1 S   H    _H2_     4     1.02744    66.51878   132.84405
    5     1 S   CT   _CA1     5     1.50108    82.19224    15.82117
    6     5 S   HC   _HA1     6     1.09433   104.78642   119.29600
    7     5 S   CO3  _C1_     7     1.53667   113.32866    -1.28268
    8     7 S   O2Z  _O11     8     1.26399   115.07202   -32.75751
    9     7 S   O2Z  _O12     9     1.26257   115.12027   146.63593
   10     5 S   CT   _CB1    10     1.52951   107.37860  -122.43159
   11    10 S   HC   HB11    11     1.09539   109.26065   -41.78857
   12    10 S   HC   HB12    12     1.09833   110.49411    73.79892
   13    10 S   CT   _CG1    13     1.53191   113.16406  -164.15517
   14    13 S   HC   HG11    14     1.09525   111.00127   -90.57734
   15    13 S   HC   HG12    15     1.09368   111.46298    28.89957
   16    13 S   C    _CD1    16     1.51375   109.37931   148.99588
   17    16 S   O    _OE1    17     1.22797   121.91674    92.55105
   18    16 S   N    _N2_    18     1.38669   112.50475   -83.96572
   19    18 S   H    _HN2    19     1.01669   119.14194    -5.76409
   20    18 S   CT1  _CA2    20     1.45991   122.52050   169.60634
   21    20 S   HC   _HA2    21     1.09721   108.61237    28.87264
   22    20 S   C    _C2_    22     1.53344   109.07484   -87.32913
   23    22 S   O    _O2_    23     1.23142   120.97348   153.55429
   24    20 S   CT   _CB2    32     1.53179   112.43649   152.10992
   25    24 S   HC   HB21    33     1.09557   110.38008    56.14416
   26    24 S   HC   HB22    34     1.09552   109.64356   175.08430
   27    22 S   N    _N3_    24     1.38332   114.66011   -33.68119
   28    27 S   H    _HN3    25     1.01503   119.53405     2.21576
   29    24 S   S    _SG2    35     1.82528   111.05032   -64.65509
   30    27 S   CT   _CA3    26     1.45345   123.24617  -177.58751
   31    30 S   HC   HA31    27     1.09561   108.34876   -41.77311
   32    30 S   HC   HA32    28     1.09539   107.15412    74.66467
   33    29 S   CT   _C8_    36     1.84829   100.16923  -165.15332
   34    33 S   HC   _H4_    37     1.09724   105.15658    59.43841
   35    30 S   CO3  _C3_    29     1.53048   114.43152  -164.16180
   36    35 S   O2Z  _O31    30     1.26432   116.38155    -1.85488
   37    35 S   O2Z  _O32    31     1.26426   114.42086   177.84641
   38    33 S   C    _C9_    38     1.53437   109.74709   -55.41912
   39    38 S   O    _O42    39     1.23253   119.11479   114.15535
   40    33 S   CT   _C6_    79     1.55495   112.56124   176.77809
   41    40 S   HC   _H3_    80     1.09871   108.77048    58.72028
   42    38 S   NM   _N4_    40     1.33801   112.52092   -65.92094
   43    40 S   CT   _C7_    81     1.53746   112.16081   -59.23652
   44    43 S   HC   _H14    82     1.09473   111.60474   -53.81539
   45    43 S   HC   _H15    83     1.09334   111.55395    66.71970
   46    43 S   HC   _H16    84     1.09542   110.84320  -174.36483
   47    40 S   CT   _C5_    85     1.54969   113.04544   176.11763
   48    47 S   HC   _H12    86     1.09612   109.81625   -62.56807
   49    47 S   HC   _H13    87     1.09763   108.74902  -177.58735
   50    42 S   SY   _S1_    41     1.59155   115.76763   178.34708
   51    50 S   OY   _O33    42     1.46093   114.39947   -61.74647
   52    50 S   OY   _O34    43     1.45987   114.47792    74.97467
   53    47 S   CT   _C4_    88     1.52298   115.37890    60.51680
   54    53 S   HC   _H9_    89     1.09359   111.63657    60.19170
   55    53 S   HC   _H10    90     1.09331   111.75319   -61.59290
   56    53 S   HC   _H11    91     1.09510   109.75726   179.27964
   57    50 S   OS   _O35    44     1.63623    99.63980  -172.59088
   58    57 S   P2   _P1_    45     1.63394   115.96448  -165.96191
   59    58 S   O2Z  _O37    46     1.51360   111.48229   -45.76491
   60    58 S   O2Z  _O36    47     1.51343   108.91150    90.24423
   61    58 S   OS   _O38    48     1.63968    98.05333  -158.12720
   62    61 S   CT   _C10    49     1.42581   117.83615    62.06800
   63    62 S   HC   _H17    50     1.09333   109.85252   -17.45744
   64    62 S   HC   _H18    51     1.09453   108.03310    99.96658
   65    62 S   CT   _C11    52     1.52417   109.17249  -139.50311
   66    65 S   HC   _H5_    53     1.09646   108.76089   -63.16610
   67    65 S   CT   _C12    54     1.53204   115.18476   172.61172
   68    67 S   HC   _H6_    55     1.09773   108.73825   142.46659
   69    67 S   CT   _C13    56     1.52119   103.41760  -102.26584
   70    69 S   HC   _H7_    57     1.09173   112.52345  -157.10665
   71    67 S   OH   _O41    77     1.41194   115.17154    21.17388
   72    71 S   HO   _H24    78     0.97244   107.71115    61.86211
   73    69 S   CO   _C14    58     1.52221   100.25523   -36.34240
   74    73 S   HC   _H8_    59     1.09774   111.27321   -74.03496
   75    69 S   OH   _O40    75     1.42769   111.35371    81.80839
   76    75 S   HO   _H23    76     0.97251   108.81230   -70.07734
   77    73 S   N*   _N5_    60     1.44709   116.08793   163.26494
   78    65 S   OS   _O39    74     1.44819   109.86258    52.82557
   79    77 S   CRAB _C15    61     1.36864   127.67402  -119.15172
   80    79 S   HA   _H19    62     1.08204   122.94121     3.32720
   81    79 S   NNA  _N6_    63     1.31698   112.05902  -176.18962
   82    81 S   C56B _C16    64     1.37471   105.07641    -0.46394
   83    77 S   C56A _C17    65     1.36999   125.09807    64.96021
   84    83 S   NB   _N7_    66     1.34176   127.77417    -3.10211
   85    84 S   CQ   _C18    67     1.34663   110.73323  -179.67374
   86    85 S   HA   _H20    68     1.08490   115.77964   179.43837
   87    85 S   NB   _N8_    69     1.35323   128.59684    -0.58484
   88    82 S   CA   _C19    70     1.40346   131.83513  -179.89913
   89    88 S   NND  _N9_    71     1.38099   122.23829    -0.22029
   90    89 S   H    _H21    72     1.01071   120.30566     0.08393
   91    89 S   H    _H22    73     1.01003   119.38591   179.72876
  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   9   5   4   3
  15   7   2   1   1  10   3  13   8   5   7   3   2   1   6   5
   4   7   3   2   3   2   1   1   5   7   3   2   7  10   5   4
  12   6  11   7  11   7   4   1  11   5   3   1   9   2   6   3
   6   8   6   4   4   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    50    40    41    43    44    45    46    47    48    49    53  
   38    39    42    40    41    43    47  
   36    37  
   37  
    0  
   39    42    50    51    52    57    40    41    43    47  
   42    50    40  
   41    43    44    45    46    47    48    49    53    54    55    56    42  
   43    44    45    46    47    48    49    53  
   50    51    52    57    58  
   44    45    46    47    48    49    53  
   45    46    47  
   46    47  
   47  
   48    49    53    54    55    56  
   49    53    54    55    56  
   53    54    55    56  
   51    52    57    58    59    60    61  
   52    57    58  
   57    58  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62    63    64    65    66    67    78  
   63    64    65    66    67    68    69    73    78    71  
   64    65    66    67    78  
   65    66    67    78  
   66    67    68    69    70    73    74    77    78    75    71    72  
   67    68    69    73    78    71  
   68    69    70    73    74    77    78    75    76    71    72  
   69    70    73    78    75    71    72  
   70    73    74    77    79    83    78    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75    78  
    0  
   74    77    79    80    81    82    83    84    78    75    76  
   77    79    83    78    75  
   76    77    78  
    0  
   79    80    81    82    83    84    85    88    78  
   79    83  
   80    81    82    83    84    88  
   81    82    83  
   82    83    84    87    88    89  
   83    84    85    87    88    89    90    91  
   84    85    86    87    88    89  
   85    86    87    88  
   86    87    88    89  
   87    88  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.4200   0.1700  -1.237500   1.9310   1.7100   0.005000000   0.000000000
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.2500   1.425300   2.0020   1.7750   0.025682759  -1.666211680
   51   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.468800   1.5900   1.4000   0.020110767  -0.896042159
   58   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   81   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   82   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   85   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   87   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   88   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   89   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   90   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   91   0.5000   0.0300   0.370000   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   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   495.000  1.346
   42    50   350.000  1.613
   50    51   735.000  1.471
   50    52   735.000  1.471
   50    57   335.000  1.682
   57    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    61   230.000  1.697
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    78   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   250.000  1.527
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    77   275.000  1.479
   73    78   320.000  1.380
   77    79   440.000  1.371
   77    83   436.000  1.374
   79    80   367.000  1.080
   79    81   529.000  1.304
   81    82   414.000  1.391
   82    83   447.000  1.419
   82    88   469.000  1.404
   83    84   461.000  1.354
   84    85   502.000  1.324
   85    86   367.000  1.080
   85    87   502.000  1.324
   87    88   483.000  1.339
   88    89   481.000  1.340
   89    90   434.000  1.010
   89    91   434.000  1.010
   75    76   553.000  0.945
   71    72   553.000  0.945
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    47   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    80.00000  112.12000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   33    40    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    50    75.00000  119.03800
   42    38    39    85.00000  128.94100
   42    50    51   105.00000  114.79700
   42    50    52   105.00000  114.79700
   42    50    57   110.00000  109.00000
   50    57    58    75.00000  113.00000
   52    50    51   115.00000  120.17200
   57    50    51   135.00000  106.70400
   57    50    52   135.00000  106.70400
   57    58    59   100.00000  108.23000
   57    58    60   100.00000  108.23000
   57    58    61    45.00000  102.60000
   58    61    62   100.00000  120.50000
   60    58    59   140.00000  119.90000
   61    58    59   100.00000  108.23000
   61    58    60   100.00000  108.23000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    50.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    78    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    71    50.00000  109.50000
   65    78    73    60.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    73    75.00000  109.43000
   67    69    75    50.00000  109.50000
   67    71    72    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    73    74    45.00000  112.01100
   69    73    77    75.00000  107.44000
   69    73    78    90.00000  108.56700
   69    75    76    55.00000  108.50000
   73    69    70    45.00000  108.72000
   73    77    79    70.00000  128.80000
   73    77    83    70.00000  125.80000
   77    73    74    55.00000  103.44000
   77    79    80    35.00000  123.05000
   77    79    81    70.00000  113.90000
   77    83    82    70.00000  106.20000
   77    83    84    70.00000  126.20000
   79    81    82    70.00000  103.80000
   81    79    80    35.00000  123.05000
   81    82    83    70.00000  110.40000
   81    82    88    70.00000  132.40000
   82    83    84    70.00000  127.70000
   82    88    87    70.00000  117.30000
   82    88    89    70.00000  123.50000
   83    77    79    70.00000  105.40000
   83    84    85    70.00000  111.00000
   84    85    86    35.00000  115.45000
   84    85    87    70.00000  129.10000
   85    87    88    70.00000  118.60000
   87    85    86    35.00000  115.45000
   87    88    89    70.00000  119.30000
   88    82    83    85.00000  116.20000
   88    89    90    35.00000  120.00000
   88    89    91    35.00000  120.00000
   91    89    90    35.00000  120.00000
   78    65    66    35.00000  109.50000
   78    65    67    50.00000  109.50000
   78    73    74    35.00000  109.50000
   78    73    77   105.00000  106.22000
   75    69    70    35.00000  109.50000
   75    69    73    90.00000  111.58700
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    53    58.35000  112.70000
   43    40    41    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    43    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38    42    50   1.73850  1.0 1.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    53   0.56750  1.0 1.0
   33    40    47    53  -0.07550 -1.0 2.0
   33    40    47    53   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.95700  1.0 1.0
   38    33    40    43  -0.18200 -1.0 2.0
   38    33    40    43   0.29450  1.0 3.0
   38    33    40    47  -0.95700  1.0 1.0
   38    33    40    47  -0.18200 -1.0 2.0
   38    33    40    47   0.29450  1.0 3.0
   38    42    50    51   0.64800  1.0 1.0
   38    42    50    51   0.05750 -1.0 2.0
   38    42    50    51   0.28250  1.0 3.0
   38    42    50    52   0.64800  1.0 1.0
   38    42    50    52   0.05750 -1.0 2.0
   38    42    50    52   0.28250  1.0 3.0
   38    42    50    57   0.00000  1.0 1.0
   39    38    42    50   7.00000 -1.0 2.0
   42    50    57    58   0.00000  1.0 1.0
   50    57    58    59   0.00000  1.0 1.0
   50    57    58    60   0.00000  1.0 1.0
   50    57    58    61   0.15000  1.0 3.0
   51    50    57    58   0.29800  1.0 3.0
   52    50    57    58   0.29800  1.0 3.0
   57    58    61    62   0.05050  1.0 1.0
   57    58    61    62  -1.30700 -1.0 2.0
   57    58    61    62   0.91550  1.0 3.0
   58    61    62    63   0.03000  1.0 3.0
   58    61    62    64   0.03000  1.0 3.0
   58    61    62    65  -2.65550  1.0 1.0
   58    61    62    65  -0.22350 -1.0 2.0
   58    61    62    65   0.24150  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   61    62    65    66   0.23400  1.0 3.0
   61    62    65    67   0.62750  1.0 1.0
   61    62    65    67  -0.30950 -1.0 2.0
   61    62    65    67   0.27300  1.0 3.0
   61    62    65    78   1.11900  1.0 1.0
   61    62    65    78  -1.16350 -1.0 2.0
   61    62    65    78  -0.34150  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.56750  1.0 1.0
   62    65    67    69  -0.07550 -1.0 2.0
   62    65    67    69   0.20000  1.0 3.0
   62    65    67    71   0.86500  1.0 1.0
   62    65    67    71  -0.17500 -1.0 2.0
   62    65    67    71   0.20800  1.0 3.0
   62    65    78    73   0.06250  1.0 1.0
   62    65    78    73  -0.01100 -1.0 2.0
   62    65    78    73   0.28050  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    78   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    78   0.23400  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67   -69    73   3.97050  1.0 1.0
   65    67    69    75   0.86500  1.0 1.0
   65    67    69    75  -0.17500 -1.0 2.0
   65    67    69    75   0.20800  1.0 3.0
   65    67    71    72  -0.11600  1.0 1.0
   65    67    71    72  -0.09450 -1.0 2.0
   65    67    71    72   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    78    73   0.37050  1.0 3.0
   67    65   -78    73   0.06250  1.0 1.0
   67    65   -78    73  -0.01100 -1.0 2.0
   67    65   -78    73   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69    73    77  -0.64600  1.0 1.0
   67    69    73    77   0.58400 -1.0 2.0
   67    69   -73    78   0.62750  1.0 1.0
   67    69   -73    78  -0.30950 -1.0 2.0
   67    69   -73    78   0.27300  1.0 3.0
   67    69    75    76  -0.11600  1.0 1.0
   67    69    75    76  -0.09450 -1.0 2.0
   67    69    75    76   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   69    73    77    79   1.10250  1.0 1.0
   69    73    77    79   0.01650 -1.0 2.0
   69    73    77    79   0.39100  1.0 3.0
   69    73    77    83   1.10250  1.0 1.0
   69    73    77    83   0.01650 -1.0 2.0
   69    73    77    83   0.39100  1.0 3.0
   69    73   -78    65   0.06250  1.0 1.0
   69    73   -78    65  -0.01100 -1.0 2.0
   69    73   -78    65   0.28050  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    78   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76  -0.11600  1.0 1.0
   73    69    75    76  -0.09450 -1.0 2.0
   73    69    75    76   0.21250  1.0 3.0
   73    77    79    80   3.62500 -1.0 2.0
   73    77    79    81   3.62500 -1.0 2.0
   73    77    83    82   0.81400  1.0 1.0
   73    77    83    82   1.55550 -1.0 2.0
   73    77    83    84   3.62500 -1.0 2.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    83   0.00000  1.0 1.0
   74    73    78    65   0.37050  1.0 3.0
   77    73    78    65  -2.37750  1.0 1.0
   77    73    78    65  -0.08150 -1.0 2.0
   77    73    78    65   0.59000  1.0 3.0
   77    79   -81    82   3.62500 -1.0 2.0
   77    83    84    85   3.62500 -1.0 2.0
   79    77   -83    82   0.70250  1.0 1.0
   79    77   -83    82   1.56150 -1.0 2.0
   79    77    83    84   3.62500 -1.0 2.0
   79    81   -82    83   3.62500 -1.0 2.0
   79    81    82    88   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    82   -83    77   3.62500 -1.0 2.0
   81    82    83    84   3.62500 -1.0 2.0
   81    82    88    87   3.62500 -1.0 2.0
   81    82    88    89   3.62500 -1.0 2.0
   82    83    84    85   3.62500 -1.0 2.0
   82    88    89    90   0.70000 -1.0 2.0
   82    88    89    91   0.70000 -1.0 2.0
   83    77    79    80   3.62500 -1.0 2.0
   83    77   -79    81   3.62500 -1.0 2.0
   83    82    88    87   3.62500 -1.0 2.0
   83    82    88    89   3.62500 -1.0 2.0
   83    84    85    86   3.62500 -1.0 2.0
   83    84   -85    87   3.62500 -1.0 2.0
   84    85    87    88   3.62500 -1.0 2.0
   85    87   -88    82   3.62500 -1.0 2.0
   85    87    88    89   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   87    88    89    90   0.70000 -1.0 2.0
   87    88    89    91   0.70000 -1.0 2.0
   88    82    83    77   3.00000 -1.0 2.0
   88    82   -83    84   3.62500 -1.0 2.0
   78    65    67    68   0.23400  1.0 3.0
   78    65   -67    69   0.62750  1.0 1.0
   78    65   -67    69  -0.30950 -1.0 2.0
   78    65   -67    69   0.27300  1.0 3.0
   78    65    67    71   3.69350  1.0 1.0
   78    65    67    71  -1.82950 -1.0 2.0
   78    73    77    79   0.10350  1.0 1.0
   78    73    77    79  -0.15350 -1.0 2.0
   78    73    77    83   0.10350  1.0 1.0
   78    73    77    83  -0.15350 -1.0 2.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   2.76900  1.0 1.0
   75    69    73    77  -0.24350 -1.0 2.0
   75    69    73    77  -0.78250  1.0 3.0
   75    69    73    78   3.69350  1.0 1.0
   75    69    73    78  -1.82950 -1.0 2.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   0.86500  1.0 1.0
   71    67    69    73  -0.17500 -1.0 2.0
   71    67    69    73   0.20800  1.0 3.0
   71    67    69    75   3.75450  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   0.00000  1.0 1.0
   40    47    53    54   0.15000  1.0 3.0
   40    47    53    55   0.15000  1.0 3.0
   40    47    53    56   0.15000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    53   0.15000  1.0 3.0
   43    40    47    48   0.15000  1.0 3.0
   43    40    47    49   0.15000  1.0 3.0
   43    40    47    53   0.56750  1.0 1.0
   43    40    47    53  -0.07550 -1.0 2.0
   43    40    47    53   0.20000  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    45   0.15000  1.0 3.0
   47    40    43    46   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    56   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   79    83    77    73   4.00000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    88    82    81   4.00000 -1.0 2.0
   82    84    83    77   4.00000 -1.0 2.0
   87    86    85    84   1.10000 -1.0 2.0
   87    89    88    82   4.00000 -1.0 2.0
   91    88    89    90   1.00000 -1.0 2.0
END
