* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    156    222     452
    1     0 S   NP   _N1_     1    29.21457    96.48214   -25.98939
    2     1 S   H    _HN1     2     1.02782   124.14176  -103.44831
    3     1 S   H    _H1_     3     1.02953    72.37289    -2.88927
    4     1 S   H    _H2_     4     1.02836    35.06304  -174.71294
    5     1 S   CT   _CA1     5     1.50127   119.59327   101.04432
    6     5 S   HC   _HA1     6     1.09575   105.20174    96.99526
    7     5 S   CO3  _C1_     7     1.53780   112.25198   -23.21139
    8     7 S   O2Z  _O11     8     1.26369   115.00976   -46.50435
    9     7 S   O2Z  _O12     9     1.26219   114.93084   132.42435
   10     5 S   CT   _CB1    10     1.53073   107.40576  -145.11073
   11    10 S   HC   HB11    11     1.09835   109.37405   -49.91646
   12    10 S   HC   HB12    12     1.09811   110.46772    66.66089
   13    10 S   CT   _CG1    13     1.53018   112.62209  -170.88161
   14    13 S   HC   HG11    14     1.09584   110.62811   -65.00892
   15    13 S   HC   HG12    15     1.09669   109.82257    54.22145
   16    13 S   C    _CD1    16     1.51823   112.11744   174.66641
   17    16 S   O    _OE1    17     1.22767   123.29559     6.71770
   18    16 S   N    _N2_    18     1.38564   111.79903  -173.17125
   19    18 S   H    _HN2    19     1.01617   119.23029    -0.06256
   20    18 S   CT1  _CA2    20     1.45986   122.66882   178.89429
   21    20 S   HC   _HA2    21     1.09757   108.39224    33.30558
   22    20 S   C    _C2_    22     1.53364   110.81425   -83.00604
   23    22 S   O    _O2_    23     1.23197   120.89293   159.91999
   24    20 S   CT   _CB2    32     1.53248   111.44925   156.15739
   25    24 S   HC   HB21    33     1.09382   110.44586    48.90757
   26    24 S   HC   HB22    34     1.09026   109.17466   167.84505
   27    22 S   N    _N3_    24     1.38073   114.72594   -26.98688
   28    27 S   H    _HN3    25     1.01552   119.21009     7.88065
   29    24 S   S    _SG2    35     1.82557   111.28346   -73.04435
   30    27 S   CT   _CA3    26     1.45352   123.14670  -175.69689
   31    30 S   HC   HA31    27     1.09526   107.46814   -74.01728
   32    30 S   HC   HA32    28     1.09560   108.45527    42.34266
   33    29 S   CT   _C17    36     1.88430   101.24418   172.55010
   34    33 S   OM   _O39    37     1.31989   107.47044   172.09024
   35    30 S   CO3  _C3_    29     1.52817   113.16520   165.65893
   36    35 S   O2Z  _O31    30     1.26419   115.43945    38.39625
   37    35 S   O2Z  _O32    31     1.26347   114.98497  -141.66014
   38    33 S   CM   _C18    38     1.53814   106.33965   -73.98281
   39    38 S   HC   _H21    39     1.09614   113.07701   -19.19408
   40    33 S   CT   _C16    52     1.54979   111.49386    52.08007
   41    40 S   HC   _H19    53     1.09643   111.18833   167.24694
   42    40 S   HC   _H20    54     1.09515   108.31759   -76.01451
   43    38 S   CMA  _C19    40     1.35976   134.05329   159.73699
   44    43 S   OM   _O38    41     1.26602   127.63045  -178.36028
   45    40 S   CO4  _C15    55     1.53710   119.64317    46.88156
   46    45 S   O    _O36    56     1.23016   123.80314    16.65528
   47    43 S   CT   _C20    42     1.52374   122.13707     5.98373
   48    47 S   HC   _H22    43     1.10144   111.03044   146.08060
   49    47 S   HC   _H23    44     1.09509   110.31850    30.57005
   50    45 S   CT   _C14    57     1.52460   116.02108  -166.52367
   51    50 S   HC   _H17    58     1.09670   107.72540  -162.75918
   52    50 S   HC   _H18    59     1.09585   107.33254   -47.19732
   53    47 S   CO4  _C21    45     1.52693   113.29874   -92.59800
   54    53 S   O    _O37    46     1.22433   125.62058    -3.68142
   55    50 S   CT   _C13    60     1.52680   111.84696    75.40071
   56    55 S   HC   _H3_    61     1.09294   110.70797   -45.48502
   57    53 S   S    _S1_    47     1.77198   112.79199   176.49345
   58    55 S   CT   _C12    62     1.52741   111.59690  -168.61649
   59    58 S   HC   _H15    63     1.09556   111.86687    40.94159
   60    58 S   HC   _H16    64     1.09593   111.74276   -79.95232
   61    55 S   OH   _O40    87     1.42852   108.04263    71.83418
   62    61 S   HO   _H27    88     0.97406   107.68224  -171.44010
   63    57 S   CT   _C22    48     1.80527    99.98001  -161.48953
   64    63 S   HC   _H24    49     1.09314   109.33138   178.53767
   65    63 S   HC   _H25    50     1.09302   110.24286    59.33334
   66    63 S   HC   _H26    51     1.09334   110.74146   -61.96345
   67    58 S   CO4  _C11    65     1.51785   109.47508   160.30868
   68    67 S   O    _O35    66     1.23012   120.52464    87.83331
   69    67 S   CT   _C10    67     1.51520   116.47674   -91.15593
   70    69 S   HC   _H13    68     1.09429   107.97438    39.56352
   71    69 S   HC   _H14    69     1.09468   108.75417   -77.12816
   72    69 S   CO4  _C9_    70     1.51421   115.35228   161.29809
   73    72 S   O    _O34    71     1.23163   121.75259    48.92910
   74    72 S   CT   _C8_    72     1.51255   117.45180  -134.48491
   75    74 S   HC   _H11    73     1.09562   108.06802  -173.45956
   76    74 S   HC   _H12    74     1.09486   108.08204   -56.44279
   77    74 S   CO4  _C7_    75     1.51369   115.16410    65.81293
   78    77 S   O    _O33    76     1.22963   121.92318    -1.80125
   79    77 S   CT   _C6_    77     1.52026   115.56318   178.47107
   80    79 S   HC   _H9_    78     1.09549   107.92334   -59.35566
   81    79 S   HC   _H10    79     1.09576   107.78835    57.68131
   82    79 S   CT   _C5_    80     1.52448   112.74510   179.04060
   83    82 S   HC   _H7_    81     1.09470   110.14384    58.87411
   84    82 S   HC   _H8_    82     1.09474   109.82239   -58.32204
   85    82 S   CT   _C4_    83     1.51909   111.62400  -179.76097
   86    85 S   HC   _H4_    84     1.09461   111.02185    59.99367
   87    85 S   HC   _H5_    85     1.09451   110.23922   179.76261
   88    85 S   HC   _H6_    86     1.09467   110.96723   -60.54060
  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
  12   7   2   1   1  11   4   9   4   3   7   4   8   4   6   4
   3  10   5   4   6   2   9   6   4  10   5   4   2   1   3   2
   1   1   7   4   8   4   3   7   4   8   4   3   8   4   9   5
   4   6   5   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    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    53    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    51    52    55    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    53    54    57  
   47    48    49    53  
   46    50    51    52    55    56    58    61  
   50    51    52    55  
   48    49    53    54    57    63  
   49    53    54    57  
   53    54    57  
   51    52    55    56    58    59    60    67    61    62  
   52    55    56    58    61  
   55    56    58    61  
   54    57    63    64    65    66  
   57    63  
   56    58    59    60    67    68    69    61    62  
   58    59    60    67    61    62  
   63    64    65    66  
   59    60    67    68    69    70    71    72    61    62  
   60    67    68    69    61  
   67    68    69    61  
   62    67  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77    78    79    80    81    82  
   76    77    78    79  
   77    78    79  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   317.000  1.522
   53    54   570.000  1.229
   53    57   210.000  1.799
   57    63   222.000  1.810
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   317.000  1.522
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.522
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   61    62   553.000  0.945
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    65.00000  137.10300
   38    43    47    65.00000  122.18000
   43    38    39    40.00000  120.50800
   43    47    48    45.00000  110.52000
   43    47    49    45.00000  110.52000
   43    47    53    70.00000  109.06800
   47    43    44    85.00000  112.85300
   47    53    54    80.00000  120.40000
   47    53    57    70.00000  114.16300
   49    47    48    33.00000  107.80000
   53    47    48    35.00000  109.50000
   53    47    49    35.00000  109.50000
   53    57    63    90.00000   96.72000
   57    53    54    80.00000  121.30200
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    50    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    55    63.00000  111.10000
   50    45    46    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    58    58.35000  112.70000
   50    55    61    50.00000  109.50000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    67    63.00000  111.10000
   55    61    62    55.00000  108.50000
   58    55    56    37.50000  110.70000
   58    67    68    80.00000  120.40000
   58    67    69    70.00000  116.00000
   60    58    59    33.00000  107.80000
   67    58    59    35.00000  109.50000
   67    58    60    35.00000  109.50000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    75.00000  107.99600
   69    67    68    80.00000  120.40000
   69    72    73    80.00000  120.40000
   69    72    74    70.00000  116.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    75.00000  107.99600
   74    72    73    80.00000  120.40000
   74    77    78    80.00000  120.40000
   74    77    79    70.00000  116.00000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    63.00000  111.10000
   79    77    78    80.00000  120.40000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    58    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.60050  1.0 1.0
   33    40    45    50   0.05600 -1.0 2.0
   33    40    45    50   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    53  -0.51250  1.0 1.0
   38    43    47    53  -0.88800 -1.0 2.0
   38    43    47    53   0.08850  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    53    54   0.30150 -1.0 2.0
   43    47    53    57   0.00000  1.0 1.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    53   0.09700  1.0 1.0
   44    43    47    53   0.15600 -1.0 2.0
   44    43    47    53  -0.50800  1.0 3.0
   47    53    57    63  -0.11550  1.0 1.0
   47    53    57    63   1.88700 -1.0 2.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    57   0.00000  1.0 1.0
   49    47    53    54   0.00000  1.0 1.0
   49    47    53    57   0.00000  1.0 1.0
   53    57    63    64   0.24000  1.0 3.0
   53    57    63    65   0.24000  1.0 3.0
   53    57    63    66   0.24000  1.0 3.0
   54    53    57    63  -0.11550  1.0 1.0
   54    53    57    63   1.88700 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    52   0.00000  1.0 1.0
   40    45    50    55   0.60050  1.0 1.0
   40    45    50    55   0.05600 -1.0 2.0
   40    45    50    55   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    55    56  -0.11250  1.0 3.0
   45    50    55    58  -0.95700  1.0 1.0
   45    50    55    58  -0.18200 -1.0 2.0
   45    50    55    58   0.29450  1.0 3.0
   45    50    55    61  -0.09450  1.0 1.0
   45    50    55    61  -1.12950 -1.0 2.0
   45    50    55    61   0.54000  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   46    45    50    55   0.30150 -1.0 2.0
   50    55    58    59   0.15000  1.0 3.0
   50    55    58    60   0.15000  1.0 3.0
   50    55    58    67  -0.95700  1.0 1.0
   50    55    58    67  -0.18200 -1.0 2.0
   50    55    58    67   0.29450  1.0 3.0
   50    55    61    62  -0.11600  1.0 1.0
   50    55    61    62  -0.09450 -1.0 2.0
   50    55    61    62   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   51    50    55    61   0.23400  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.15000  1.0 3.0
   52    50    55    61   0.23400  1.0 3.0
   55    58    67    68   0.30150 -1.0 2.0
   55    58    67    69   0.60050  1.0 1.0
   55    58    67    69   0.05600 -1.0 2.0
   55    58    67    69   0.26150  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    67  -0.11250  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   58    55    61    62  -0.11600  1.0 1.0
   58    55    61    62  -0.09450 -1.0 2.0
   58    55    61    62   0.21250  1.0 3.0
   58    67    69    70   0.00000  1.0 1.0
   58    67    69    71   0.00000  1.0 1.0
   58    67    69    72   0.65300  1.0 1.0
   58    67    69    72  -0.03850 -1.0 2.0
   58    67    69    72   0.33900  1.0 3.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    69   0.00000  1.0 1.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    69   0.00000  1.0 1.0
   67    69    72    73   0.30150 -1.0 2.0
   67    69    72    74   0.65300  1.0 1.0
   67    69    72    74  -0.03850 -1.0 2.0
   67    69    72    74   0.33900  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.30150 -1.0 2.0
   69    72    74    75   0.00000  1.0 1.0
   69    72    74    76   0.00000  1.0 1.0
   69    72    74    77   0.65300  1.0 1.0
   69    72    74    77  -0.03850 -1.0 2.0
   69    72    74    77   0.33900  1.0 3.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    77    78   0.30150 -1.0 2.0
   72    74    77    79   0.65300  1.0 1.0
   72    74    77    79  -0.03850 -1.0 2.0
   72    74    77    79   0.33900  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.30150 -1.0 2.0
   74    77    79    80   0.00000  1.0 1.0
   74    77    79    81   0.00000  1.0 1.0
   74    77    79    82   0.60050  1.0 1.0
   74    77    79    82   0.05600 -1.0 2.0
   74    77    79    82   0.26150  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   77    79    82    83  -0.11250  1.0 3.0
   77    79    82    84  -0.11250  1.0 3.0
   77    79    82    85  -0.95700  1.0 1.0
   77    79    82    85  -0.18200 -1.0 2.0
   77    79    82    85   0.29450  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.30150 -1.0 2.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   61    55    58    59   0.23400  1.0 3.0
   61    55    58    60   0.23400  1.0 3.0
   61    55    58    67  -0.09450  1.0 1.0
   61    55    58    67  -1.12950 -1.0 2.0
   61    55    58    67   0.54000  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    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   47    57    53    54  10.50000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
   58    69    67    68  10.50000 -1.0 2.0
   69    74    72    73  10.50000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
END
