* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    157    215     445
    1     0 S   NP   _N1_     1    28.80801    93.78039   -22.82346
    2     1 S   H    _HN1     2     1.02792   101.82465   -76.58484
    3     1 S   H    _H1_     3     1.02906    84.00487    30.92890
    4     1 S   H    _H2_     4     1.02832    27.63326   177.33589
    5     1 S   CT   _CA1     5     1.50040   135.10395   143.85936
    6     5 S   HC   _HA1     6     1.09583   105.18102    72.75050
    7     5 S   CO3  _C1_     7     1.53779   112.37901   -47.35977
    8     7 S   O2Z  _O11     8     1.26346   115.01764   -45.44590
    9     7 S   O2Z  _O12     9     1.26238   114.91211   133.75944
   10     5 S   CT   _CB1    10     1.53115   107.57629  -169.51840
   11    10 S   HC   HB11    11     1.09756   109.19824   -51.81370
   12    10 S   HC   HB12    12     1.09772   110.64531    64.86404
   13    10 S   CT   _CG1    13     1.52958   112.48492  -172.70238
   14    13 S   HC   HG11    14     1.09605   110.38846   -64.76208
   15    13 S   HC   HG12    15     1.09667   109.90813    54.32587
   16    13 S   C    _CD1    16     1.51808   112.60427   174.74357
   17    16 S   O    _OE1    17     1.22715   123.39005    -0.38967
   18    16 S   N    _N2_    18     1.38688   111.42912   179.70792
   19    18 S   H    _HN2    19     1.01595   118.99728     0.04423
   20    18 S   CT1  _CA2    20     1.46123   123.43660   179.85873
   21    20 S   HC   _HA2    21     1.09588   109.01799   -14.28235
   22    20 S   C    _C2_    22     1.53440   108.53024  -129.38048
   23    22 S   O    _O2_    23     1.23013   122.18654  -147.57797
   24    20 S   CT   _CB2    32     1.53442   111.60114   108.26044
   25    24 S   HC   HB21    33     1.09644   109.66138    56.76308
   26    24 S   HC   HB22    34     1.09550   111.33230   174.54950
   27    22 S   N    _N3_    24     1.38498   113.36888    40.03501
   28    27 S   H    _HN3    25     1.01529   118.89314    -1.03684
   29    24 S   S    _SG2    35     1.82732   113.65186   -62.89137
   30    27 S   CT   _CA3    26     1.45451   123.56431   174.59390
   31    30 S   HC   HA31    27     1.09514   109.37344    21.88386
   32    30 S   HC   HA32    28     1.09497   107.10443   138.95239
   33    29 S   CT   _C19    36     1.82273    99.42575   -77.16326
   34    33 S   HC   _H22    37     1.08949   108.98026    48.91204
   35    33 S   HC   _H23    38     1.09442   108.76101   -69.00694
   36    30 S   CO3  _C3_    29     1.52929   112.96373  -101.65009
   37    36 S   O2Z  _O31    30     1.26417   115.36561   -44.75008
   38    36 S   O2Z  _O32    31     1.26344   115.00397   136.10728
   39    33 S   CM   _C18    39     1.49923   109.05933   171.96405
   40    39 S   HC   _H21    40     1.09025   114.67726    55.89648
   41    39 S   CM   _C17    41     1.34832   127.67201  -123.58760
   42    41 S   CT   _C20    42     1.50473   124.68515    -2.59420
   43    42 S   HC   _H24    43     1.09413   110.37258   104.34710
   44    42 S   HC   _H25    44     1.09547   110.19215  -136.02488
   45    42 S   HC   _H26    45     1.09212   113.35567   -17.04368
   46    41 S   CT   _C16    46     1.51886   119.91991   178.17169
   47    46 S   HC   _H19    47     1.09771   108.24351   121.56582
   48    46 S   HC   _H20    48     1.09809   110.73903     6.21467
   49    46 S   CT   _C15    49     1.53443   114.38457  -117.06238
   50    49 S   HC   _H17    50     1.09717   110.13300   -59.77993
   51    49 S   HC   _H18    51     1.09460   108.73208  -174.34331
   52    49 S   CM   _C14    52     1.50402   113.16478    61.31919
   53    52 S   HC   _H16    53     1.09006   114.15101   -75.22684
   54    52 S   CM   _C13    54     1.34739   127.96394   107.87617
   55    54 S   CT   _C21    55     1.50333   124.74144    -3.92411
   56    55 S   HC   _H27    56     1.09406   110.47267   110.22229
   57    55 S   HC   _H28    57     1.09536   110.14182  -130.15355
   58    55 S   HC   _H29    58     1.09246   113.25587   -11.04667
   59    54 S   CT   _C12    59     1.51891   119.92473   176.61933
   60    59 S   HC   _H14    60     1.09864   110.45475    20.47811
   61    59 S   HC   _H15    61     1.09738   108.96800   135.75553
   62    59 S   CT   _C11    62     1.53599   113.20179  -102.54086
   63    62 S   HC   _H12    63     1.09725   108.60262  -174.43785
   64    62 S   HC   _H13    64     1.09308   110.29963   -59.05814
   65    62 S   CM   _C10    65     1.50453   111.68999    66.99614
   66    65 S   HC   _H11    66     1.08871   113.48310    67.52668
   67    65 S   CM   _C9_    67     1.34726   128.51367  -110.04922
   68    67 S   CT   _C22    68     1.50339   125.05605    -2.08900
   69    68 S   HC   _H30    69     1.09450   110.39696   113.46804
   70    68 S   HC   _H31    70     1.09147   113.58528    -7.19195
   71    68 S   HC   _H32    71     1.09520   110.05892  -126.95373
   72    67 S   CT   _C8_    72     1.51629   119.65720   177.11744
   73    72 S   HC   _H9_    73     1.09751   110.07392    17.05398
   74    72 S   HC   _H10    74     1.09768   109.37922   132.69050
   75    72 S   CT   _C7_    75     1.53212   111.97773  -104.65575
   76    75 S   HC   _H7_    76     1.09455   110.40616    48.41943
   77    75 S   HC   _H8_    77     1.09715   110.00468   -67.78805
   78    75 S   CM   _C6_    78     1.50316   111.22133   172.77257
   79    78 S   HC   _H6_    79     1.08943   114.25927    74.08138
   80    78 S   CM   _C5_    80     1.34676   127.46746  -107.30808
   81    80 S   CT   _C4_    81     1.50546   120.50434  -178.03168
   82    81 S   HC   _H3_    82     1.09497   110.19854   121.15005
   83    81 S   HC   _H4_    83     1.09510   112.40281     1.10145
   84    81 S   HC   _H5_    84     1.09496   110.28153  -119.02844
   85    80 S   CT   _C23    85     1.50302   125.06548     2.28850
   86    85 S   HC   _H33    86     1.09525   110.07113   130.67866
   87    85 S   HC   _H34    87     1.09467   110.11483  -110.12170
   88    85 S   HC   _H35    88     1.09244   113.43358    11.28092
  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   6   5   4   3
   7   4   3   2   1   1  10   3  11   7   3   2   1   8   5   4
   7   4   3  10   3  11   7   3   2   1   8   5   4   7   4   3
  10   3  11   7   3   2   1   8   5   4   7   4   3  10   3   8
   7   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49  
   41    42    46  
   42    43    44    45    46    47    48    49    50    51    52  
   43    44    45    46    47    48    49  
   44    45    46  
   45    46  
   46  
   47    48    49    50    51    52    53    54  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    59  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    59    60    61    62  
   54    55    59  
   55    56    57    58    59    60    61    62    63    64    65  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65  
   62    63    64    65  
   63    64    65    66    67    68    72  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72    73    74    75  
   67    68    72  
   68    69    70    71    72    73    74    75    76    77    78  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    85  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    84    85    86    87    88  
   80    81    85  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   317.000  1.510
   41    46   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.510
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   317.000  1.510
   54    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   317.000  1.510
   67    72   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.510
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   317.000  1.510
   80    85   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    70.00000  124.00000
   39    41    46    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  109.50000
   41    42    44    35.00000  109.50000
   41    42    45    35.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    70.00000  112.02700
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    41    42    65.00000  117.92700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    70.00000  112.02700
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    35.00000  117.00000
   49    52    54    70.00000  124.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    70.00000  124.00000
   52    54    59    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    35.00000  109.50000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    54    55    65.00000  117.92700
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    65    66    35.00000  117.00000
   62    65    67    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    70.00000  124.00000
   65    67    72    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  109.50000
   67    68    70    35.00000  109.50000
   67    68    71    35.00000  109.50000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    65.00000  117.92700
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    70.00000  112.02700
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    35.00000  117.00000
   75    78    80    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    70.00000  124.00000
   78    80    85    70.00000  124.00000
   80    78    79    35.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    80    81    65.00000  117.92700
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    46   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    43   0.00000  1.0 1.0
   39    41    42    44   0.00000  1.0 1.0
   39    41    42    45   0.00000  1.0 1.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    48   0.00000  1.0 1.0
   39    41    46    49   0.09850  1.0 1.0
   39    41    46    49   0.15250 -1.0 2.0
   39    41    46    49  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    46   7.00000 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.31000  1.0 1.0
   41    46    49    52   0.14700 -1.0 2.0
   41    46    49    52   0.07550  1.0 3.0
   42    41    46    47   0.34800  1.0 3.0
   42    41    46    48   0.34800  1.0 3.0
   42    41    46    49   0.46850  1.0 1.0
   42    41    46    49   0.08550 -1.0 2.0
   42    41    46    49   0.09800  1.0 3.0
   46    41    42    43   0.34800  1.0 3.0
   46    41    42    44   0.34800  1.0 3.0
   46    41    42    45   0.34800  1.0 3.0
   46    49    52    53   0.00000  1.0 1.0
   46    49    52    54   0.09850  1.0 1.0
   46    49    52    54   0.15250 -1.0 2.0
   46    49    52    54  -0.50650  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    54    55   7.00000 -1.0 2.0
   49    52    54    59   7.00000 -1.0 2.0
   50    49    52    53   0.33100  1.0 3.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.33100  1.0 3.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    55    56   0.00000  1.0 1.0
   52    54    55    57   0.00000  1.0 1.0
   52    54    55    58   0.00000  1.0 1.0
   52    54    59    60   0.00000  1.0 1.0
   52    54    59    61   0.00000  1.0 1.0
   52    54    59    62   0.09850  1.0 1.0
   52    54    59    62   0.15250 -1.0 2.0
   52    54    59    62  -0.50650  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    59   7.00000 -1.0 2.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59    62    65   0.31000  1.0 1.0
   54    59    62    65   0.14700 -1.0 2.0
   54    59    62    65   0.07550  1.0 3.0
   55    54    59    60   0.34800  1.0 3.0
   55    54    59    61   0.34800  1.0 3.0
   55    54    59    62   0.46850  1.0 1.0
   55    54    59    62   0.08550 -1.0 2.0
   55    54    59    62   0.09800  1.0 3.0
   59    54    55    56   0.34800  1.0 3.0
   59    54    55    57   0.34800  1.0 3.0
   59    54    55    58   0.34800  1.0 3.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    67   0.09850  1.0 1.0
   59    62    65    67   0.15250 -1.0 2.0
   59    62    65    67  -0.50650  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    65   0.15000  1.0 3.0
   62    65    67    68   7.00000 -1.0 2.0
   62    65    67    72   7.00000 -1.0 2.0
   63    62    65    66   0.33100  1.0 3.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.33100  1.0 3.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    68    69   0.00000  1.0 1.0
   65    67    68    70   0.00000  1.0 1.0
   65    67    68    71   0.00000  1.0 1.0
   65    67    72    73   0.00000  1.0 1.0
   65    67    72    74   0.00000  1.0 1.0
   65    67    72    75   0.09850  1.0 1.0
   65    67    72    75   0.15250 -1.0 2.0
   65    67    72    75  -0.50650  1.0 3.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    72   7.00000 -1.0 2.0
   67    72    75    76   0.15000  1.0 3.0
   67    72    75    77   0.15000  1.0 3.0
   67    72    75    78   0.31000  1.0 1.0
   67    72    75    78   0.14700 -1.0 2.0
   67    72    75    78   0.07550  1.0 3.0
   68    67    72    73   0.34800  1.0 3.0
   68    67    72    74   0.34800  1.0 3.0
   68    67    72    75   0.46850  1.0 1.0
   68    67    72    75   0.08550 -1.0 2.0
   68    67    72    75   0.09800  1.0 3.0
   72    67    68    69   0.34800  1.0 3.0
   72    67    68    70   0.34800  1.0 3.0
   72    67    68    71   0.34800  1.0 3.0
   72    75    78    79   0.00000  1.0 1.0
   72    75    78    80   0.09850  1.0 1.0
   72    75    78    80   0.15250 -1.0 2.0
   72    75    78    80  -0.50650  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    80    81   7.00000 -1.0 2.0
   75    78    80    85   7.00000 -1.0 2.0
   76    75    78    79   0.33100  1.0 3.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.33100  1.0 3.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    81    82   0.00000  1.0 1.0
   78    80    81    83   0.00000  1.0 1.0
   78    80    81    84   0.00000  1.0 1.0
   78    80    85    86   0.00000  1.0 1.0
   78    80    85    87   0.00000  1.0 1.0
   78    80    85    88   0.00000  1.0 1.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    85   7.00000 -1.0 2.0
   81    80    85    86   0.34800  1.0 3.0
   81    80    85    87   0.34800  1.0 3.0
   81    80    85    88   0.34800  1.0 3.0
   85    80    81    82   0.34800  1.0 3.0
   85    80    81    83   0.34800  1.0 3.0
   85    80    81    84   0.34800  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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    46    41    39  15.00000 -1.0 2.0
   49    53    52    54  15.00000 -1.0 2.0
   55    59    54    52  15.00000 -1.0 2.0
   62    66    65    67  15.00000 -1.0 2.0
   68    72    67    65  15.00000 -1.0 2.0
   75    79    78    80  15.00000 -1.0 2.0
   81    85    80    78  15.00000 -1.0 2.0
END
