* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    155    230     449
    1     0 S   NP   _N1_     1    29.86038    95.37241   -25.67766
    2     1 S   H    _HN1     2     1.02787   120.26615  -101.01532
    3     1 S   H    _H1_     3     1.02956    76.53718     2.53466
    4     1 S   H    _H2_     4     1.02831    30.58954  -174.28509
    5     1 S   CT   _CA1     5     1.50135   121.50932   108.41072
    6     5 S   HC   _HA1     6     1.09576   105.19992    91.26037
    7     5 S   CO3  _C1_     7     1.53764   112.36935   -28.92687
    8     7 S   O2Z  _O11     8     1.26365   115.00538   -44.48519
    9     7 S   O2Z  _O12     9     1.26235   114.92491   134.52668
   10     5 S   CT   _CB1    10     1.53058   107.38338  -150.86577
   11    10 S   HC   HB11    11     1.09835   109.27638   -50.48405
   12    10 S   HC   HB12    12     1.09817   110.45404    66.04146
   13    10 S   CT   _CG1    13     1.53029   112.71771  -171.53420
   14    13 S   HC   HG11    14     1.09585   110.57673   -65.69104
   15    13 S   HC   HG12    15     1.09657   109.88366    53.57958
   16    13 S   C    _CD1    16     1.51796   112.12224   173.90867
   17    16 S   O    _OE1    17     1.22772   123.24385     3.92356
   18    16 S   N    _N2_    18     1.38584   111.87269  -176.09630
   19    18 S   H    _HN2    19     1.01579   119.20705     2.41070
   20    18 S   CT1  _CA2    20     1.45956   122.72746   177.24622
   21    20 S   HC   _HA2    21     1.09672   110.09355    21.38649
   22    20 S   C    _C2_    22     1.52824   104.40852   -95.79371
   23    22 S   O    _O2_    23     1.23011   122.59838   -89.26039
   24    20 S   CT   _CB2    32     1.53325   111.89131   144.78057
   25    24 S   HC   HB21    33     1.09551   110.22328    54.59316
   26    24 S   HC   HB22    34     1.09255   109.00184   173.22494
   27    22 S   N    _N3_    24     1.38468   113.20154    86.44328
   28    27 S   H    _HN3    25     1.01720   120.12901     0.82567
   29    24 S   S    _SG2    35     1.83223   111.03427   -65.87305
   30    27 S   CT   _CA3    26     1.45351   122.20200  -176.39799
   31    30 S   HC   HA31    27     1.09514   107.46402   -62.32799
   32    30 S   HC   HA32    28     1.09578   107.84470    53.72082
   33    29 S   CT   _C23    36     1.87258   102.21618  -172.11631
   34    33 S   OM   _O40    37     1.31865   109.66126   -52.51747
   35    30 S   CO3  _C3_    29     1.52833   114.63503   175.27524
   36    35 S   O2Z  _O31    30     1.26287   116.13307    -7.63610
   37    35 S   O2Z  _O32    31     1.26539   114.40147   172.39233
   38    33 S   CT   _C22    38     1.54760   110.92273    67.90420
   39    38 S   HC   _H20    39     1.09903   111.35498   179.72375
   40    38 S   HC   _H21    40     1.09934   109.86592   -64.91434
   41    33 S   S    _S1_    83     1.87093   105.64948  -168.95505
   42    38 S   CO4  _C21    41     1.53081   117.58234    56.96205
   43    42 S   O    _O39    42     1.22971   123.81632    23.29545
   44    41 S   CT   _C24    84     1.81261   101.83490  -172.74309
   45    44 S   HC   _H22    85     1.09374   108.52860  -172.52113
   46    44 S   HC   _H23    86     1.09246   110.75321    69.38713
   47    44 S   HC   _H24    87     1.09254   111.52139   -53.66957
   48    42 S   CT   _C20    43     1.51337   116.07986  -157.97709
   49    48 S   HC   _H18    44     1.09518   108.56568  -156.38430
   50    48 S   HC   _H19    45     1.09486   108.33724   -39.42877
   51    48 S   CO4  _C19    46     1.51192   113.87830    82.69646
   52    51 S   O    _O38    47     1.23066   121.67422     9.63266
   53    51 S   CT   _C18    48     1.52353   115.79153  -172.33359
   54    53 S   HC   _H16    49     1.09586   108.29223   -71.53191
   55    53 S   HC   _H17    50     1.09387   108.82560    44.09921
   56    53 S   CM   _C9_    51     1.51134   110.86533   166.81566
   57    56 S   CM   _C8_    52     1.34765   124.59110   -84.29284
   58    57 S   CT   _C17    53     1.50355   124.39263   177.77454
   59    58 S   HC   _H3_    54     1.09689   109.19384  -129.56193
   60    57 S   CO4  _C7_    72     1.49160   119.45468    -0.33279
   61    60 S   O    _O34    73     1.22951   120.56970   -70.30346
   62    58 S   CA   _C16    55     1.51157   114.88942    -8.60636
   63    58 S   OH   _O35    70     1.42751   108.36188   112.49544
   64    63 S   HO   _H13    71     0.97326   107.41268    74.02868
   65    60 S   CT   _C6_    74     1.50965   117.48116   111.26471
   66    65 S   HC   _H7_    75     1.09371   110.40619    -9.46855
   67    65 S   HC   _H8_    76     1.09542   107.15512  -126.51216
   68    62 S   CA   _C11    56     1.40590   120.83212     9.30918
   69    65 S   CO4  _C5_    77     1.51044   113.65552   112.55689
   70    69 S   O    _O33    78     1.23081   122.15032   -19.88314
   71    68 S   CA   _C12    57     1.40562   119.80617   179.36696
   72    71 S   HA   _H11    58     1.08730   119.66441  -179.49140
   73    56 S   CT   _C10    67     1.51058   114.47369    94.70431
   74    73 S   HC   _H9_    68     1.09728   108.61222    68.72662
   75    73 S   HC   _H10    69     1.09796   108.24186   -48.15286
   76    69 S   CT   _C4_    79     1.50542   116.56890   162.02284
   77    76 S   HC   _H4_    80     1.09189   109.68911    61.33750
   78    76 S   HC   _H5_    81     1.09281   109.59760   -59.75126
   79    76 S   HC   _H6_    82     1.09352   109.69528  -179.04879
   80    71 S   CA   _C13    59     1.39262   120.23633     0.95224
   81    80 S   CA   _C14    60     1.38802   120.68366     0.04846
   82    81 S   HA   _H12    61     1.08614   120.10440   179.23255
   83    80 S   OH   _O37    65     1.36622   121.06867   179.80416
   84    83 S   HO   _H15    66     0.97216   108.60667    -1.63542
   85    62 S   CA   _C15    62     1.40556   120.57507  -169.81574
   86    85 S   OH   _O36    63     1.37054   119.05292     1.22637
   87    86 S   HO   _H14    64     0.97452   108.30538   162.08213
  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   8   5   4   3
  12   6   2   1   1  10   5   4   5   7   4   3   2   1   1   8
   4   3   7   4  10   4   3  13  16  13   6  10   4  14   3   1
   8   4   3  10   5   4  10   4   4   1   1   3   2   1   1   6
   6   3   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    41    44    45    46    47  
   38    39    40    42    41    44  
   36    37  
   37  
    0  
   39    40    42    43    48    49    50    51    41    44  
   40    42    43    48    41  
   42    43    48    41  
   44    45    46    47    42  
   43    48    49    50    51    52    53  
   48    49    50    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55    56  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    73  
   53    54    55    56  
   54    55    56    57    58    68    73    74    75    60  
   55    56    57    73  
   56    57    73  
   57    58    59    62    68    71    73    74    75    63    60    61    65  
   58    59    62    68    85    73    74    75    63    64    60    61    65    66    67    69  
   59    62    68    71    81    85    86    73    63    64    60    61    65  
   62    68    85    63    64    60  
   61    65    66    67    69    70    76    62    63    73  
   65    66    67    69  
   68    71    72    80    81    82    85    86    87    73    74    75    63    64  
   64    68    85  
    0  
   66    67    69    70    76    77    78    79  
   67    69    70    76  
   69    70    76  
   71    72    80    81    85    86    83    73    74    75  
   70    76    77    78    79  
   76    77    78    79  
   72    80    81    82    85    83    84    73    74    75  
   80    81    83    73  
   74    75    80    85  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    82    85    86    83    84  
   82    85    86    87    83    84  
   85    86    83  
   84    85  
    0  
   86    87  
   87  
    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  -0.005000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   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   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.005000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   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    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   317.000  1.510
   56    57   549.000  1.340
   56    73   317.000  1.510
   57    58   317.000  1.510
   57    60   320.000  1.462
   58    59   340.000  1.090
   58    62   317.000  1.510
   58    63   320.000  1.410
   62    68   469.000  1.400
   62    85   469.000  1.400
   68    71   469.000  1.400
   68    73   317.000  1.510
   71    72   367.000  1.080
   71    80   469.000  1.400
   80    81   469.000  1.400
   80    83   450.000  1.364
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    86   450.000  1.364
   86    87   553.000  0.945
   83    84   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   63    64   553.000  0.945
   60    61   570.000  1.229
   60    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   317.000  1.522
   69    70   570.000  1.229
   69    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   41    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    44    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    75.00000  107.99600
   48    42    43    80.00000  120.40000
   48    51    52    80.00000  120.40000
   48    51    53    70.00000  116.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    70.00000  109.06800
   53    51    52    80.00000  120.40000
   53    56    57    70.00000  124.00000
   53    56    73    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58    70.00000  124.00000
   56    57    60    65.00000  118.96000
   56    73    68    70.00000  112.99600
   56    73    74    35.00000  109.50000
   56    73    75    35.00000  109.50000
   57    58    59    35.00000  109.50000
   57    58    62    70.00000  112.99600
   57    58    63    90.00000  110.39200
   57    60    61    80.00000  123.72100
   57    60    65    65.00000  118.62400
   58    62    68    70.00000  120.00000
   58    62    85    70.00000  120.00000
   58    63    64    55.00000  108.50000
   62    58    59    35.00000  109.50000
   62    68    71    63.00000  120.00000
   62    68    73    70.00000  120.00000
   62    85    81    63.00000  120.00000
   62    85    86    70.00000  120.00000
   68    71    72    35.00000  120.00000
   68    71    80    63.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   71    80    81    63.00000  120.00000
   71    80    83    70.00000  120.00000
   80    71    72    35.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    35.00000  113.00000
   81    85    86    70.00000  120.00000
   85    62    68    63.00000  120.00000
   85    81    82    35.00000  120.00000
   85    86    87    35.00000  113.00000
   83    80    81    70.00000  120.00000
   73    56    57    70.00000  124.00000
   73    68    71    70.00000  120.00000
   75    73    74    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    62    90.00000  112.51600
   60    57    58    65.00000  116.34900
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    69    75.00000  107.99600
   65    60    61    80.00000  120.40000
   65    69    70    80.00000  120.40000
   65    69    76    70.00000  116.00000
   67    65    66    33.00000  107.80000
   69    65    66    35.00000  109.50000
   69    65    67    35.00000  109.50000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    35.00000  109.50000
   76    69    70    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.13850  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    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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    40   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    41    44   0.08500  1.0 1.0
   29    33    41    44  -0.53150 -1.0 2.0
   29    33    41    44   0.48050  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    41    44    45   0.32350  1.0 3.0
   33    41    44    46   0.32350  1.0 3.0
   33    41    44    47   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   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    41    44   0.13850  1.0 1.0
   34    33    41    44  -1.34450 -1.0 2.0
   34    33    41    44   0.57400  1.0 3.0
   38    33    41    44   0.01700  1.0 1.0
   38    33    41    44  -0.23550 -1.0 2.0
   38    33    41    44   0.21350  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    51   0.65300  1.0 1.0
   38    42    48    51  -0.03850 -1.0 2.0
   38    42    48    51   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48   0.00000  1.0 1.0
   42    48    51    52   0.30150 -1.0 2.0
   42    48    51    53   0.65300  1.0 1.0
   42    48    51    53  -0.03850 -1.0 2.0
   42    48    51    53   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    51   0.30150 -1.0 2.0
   48    51    53    54   0.00000  1.0 1.0
   48    51    53    55   0.00000  1.0 1.0
   48    51    53    56   0.65300  1.0 1.0
   48    51    53    56  -0.03850 -1.0 2.0
   48    51    53    56   0.33900  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   51    53    56    57  -0.51250  1.0 1.0
   51    53    56    57  -0.88800 -1.0 2.0
   51    53    56    57   0.08850  1.0 3.0
   51    53    56    73   0.17250  1.0 1.0
   51    53    56    73  -0.04100 -1.0 2.0
   51    53    56    73  -0.33850  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    57    58   7.00000 -1.0 2.0
   53    56    57    60   7.00000 -1.0 2.0
   53    56    73    68   0.09700  1.0 1.0
   53    56    73    68   0.15600 -1.0 2.0
   53    56    73    68  -0.50800  1.0 3.0
   53    56    73    74   0.34800  1.0 3.0
   53    56    73    75   0.34800  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    73   0.34800  1.0 3.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    73   0.34800  1.0 3.0
   56    57    58    59   0.00000  1.0 1.0
   56    57    58    62   1.44450  1.0 1.0
   56    57    58    62   0.06600 -1.0 2.0
   56    57    58    62   0.29250  1.0 3.0
   56    57    58    63   0.67800  1.0 1.0
   56    57    58    63   0.47050 -1.0 2.0
   56    57    58    63  -0.62500  1.0 3.0
   56    57    60    61   1.00000 -1.0 2.0
   56    57    60    65  -0.33500  1.0 1.0
   56    57    60    65   1.06600 -1.0 2.0
   56    57    60    65  -0.14000  1.0 3.0
   57    56    73    68   1.44450  1.0 1.0
   57    56    73    68   0.06600 -1.0 2.0
   57    56    73    68   0.29250  1.0 3.0
   57    56    73    74   0.00000  1.0 1.0
   57    56    73    75   0.00000  1.0 1.0
   57    58   -62    68   0.18050 -1.0 2.0
   57    58    62    85   0.18050 -1.0 2.0
   57    58    63    64  -0.07800  1.0 1.0
   57    58    63    64  -0.21500 -1.0 2.0
   57    58    63    64  -0.03150  1.0 3.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    67   0.00000  1.0 1.0
   57    60    65    69   0.65300  1.0 1.0
   57    60    65    69  -0.03850 -1.0 2.0
   57    60    65    69   0.33900  1.0 3.0
   58    57    60    61  -0.64400  1.0 1.0
   58    57    60    61   0.26850 -1.0 2.0
   58    57    60    65   0.25700  1.0 1.0
   58    57    60    65   0.66200 -1.0 2.0
   58    57    60    65   0.04450  1.0 3.0
   58    62    68    71   3.62500 -1.0 2.0
   58    62    68    73   3.62500 -1.0 2.0
   58    62    85    81   3.62500 -1.0 2.0
   58    62    85    86   3.62500 -1.0 2.0
   59    58    62    68   0.00000  1.0 1.0
   59    58    62    85   0.00000  1.0 1.0
   59    58    63    64   0.19450  1.0 3.0
   62    58    63    64   0.31900  1.0 1.0
   62    58    63    64  -0.11800 -1.0 2.0
   62    58    63    64   0.38750  1.0 3.0
   62    68    71    72   3.62500 -1.0 2.0
   62    68    71    80   3.62500 -1.0 2.0
   62    68   -73    56   0.18050 -1.0 2.0
   62    68    73    74   0.00000  1.0 1.0
   62    68    73    75   0.00000  1.0 1.0
   62    85    86    87   0.84100 -1.0 2.0
   68    62    85    81   3.62500 -1.0 2.0
   68    62    85    86   3.62500 -1.0 2.0
   68    71   -80    81   3.62500 -1.0 2.0
   68    71    80    83   3.62500 -1.0 2.0
   71    68    73    56   0.18050 -1.0 2.0
   71    68    73    74   0.00000  1.0 1.0
   71    68    73    75   0.00000  1.0 1.0
   71    80    81    82   3.62500 -1.0 2.0
   71    80    81    85   3.62500 -1.0 2.0
   71    80    83    84   0.84100 -1.0 2.0
   72    71    80    81   3.62500 -1.0 2.0
   72    71    80    83   3.62500 -1.0 2.0
   80    81   -85    62   3.62500 -1.0 2.0
   80    81    85    86   3.62500 -1.0 2.0
   81    80    83    84   0.84100 -1.0 2.0
   81    85    86    87   0.84100 -1.0 2.0
   82    81    85    62   3.62500 -1.0 2.0
   82    81    85    86   3.62500 -1.0 2.0
   85    62   -68    71   3.62500 -1.0 2.0
   85    62    68    73   3.62500 -1.0 2.0
   83    80    81    82   3.62500 -1.0 2.0
   83    80    81    85   3.62500 -1.0 2.0
   73    56   -57    58   7.00000 -1.0 2.0
   73    56    57    60   7.00000 -1.0 2.0
   73    68    71    72   3.62500 -1.0 2.0
   73    68    71    80   3.62500 -1.0 2.0
   63    58    62    68   0.14300 -1.0 2.0
   63    58    62    68   0.00300  1.0 3.0
   63    58    62    85   0.14300 -1.0 2.0
   63    58    62    85   0.00300  1.0 3.0
   60    57    58    59   0.15000  1.0 3.0
   60    57    58    62   0.09700  1.0 1.0
   60    57    58    62   0.15600 -1.0 2.0
   60    57    58    62  -0.50800  1.0 3.0
   60    57    58    63   0.09700  1.0 1.0
   60    57    58    63   0.15600 -1.0 2.0
   60    57    58    63  -0.50800  1.0 3.0
   60    65    69    70   0.30150 -1.0 2.0
   60    65    69    76   0.65300  1.0 1.0
   60    65    69    76  -0.03850 -1.0 2.0
   60    65    69    76   0.33900  1.0 3.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    67   0.00000  1.0 1.0
   61    60    65    69   0.30150 -1.0 2.0
   65    69    76    77   0.00000  1.0 1.0
   65    69    76    78   0.00000  1.0 1.0
   65    69    76    79   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    76   0.00000  1.0 1.0
   67    65    69    70   0.00000  1.0 1.0
   67    65    69    76   0.00000  1.0 1.0
   70    69    76    77   0.00000  1.0 1.0
   70    69    76    78   0.00000  1.0 1.0
   70    69    76    79   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  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
   38    48    42    43  10.50000 -1.0 2.0
   48    53    51    52  10.50000 -1.0 2.0
   53    73    56    57   1.10000 -1.0 2.0
   60    58    57    56   1.10000 -1.0 2.0
   68    85    62    58   4.00000 -1.0 2.0
   71    73    68    62   4.00000 -1.0 2.0
   80    72    71    68   1.10000 -1.0 2.0
   81    83    80    71   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   81    86    85    62   4.00000 -1.0 2.0
   57    65    60    61  10.50000 -1.0 2.0
   65    76    69    70  10.50000 -1.0 2.0
END
