* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    163    237     474
    1     0 S   NP   _N1_     1    28.47636    94.54075   -22.96258
    2     1 S   H    _HN1     2     1.02960    83.61249    24.95958
    3     1 S   H    _H1_     3     1.02837    29.09379   168.80483
    4     1 S   H    _H2_     4     1.02778   100.18705   -82.58196
    5     1 S   CT   _CA1     5     1.50125   137.02790   138.16703
    6     5 S   HC   _HA1     6     1.09576   105.21650    74.50464
    7     5 S   CO3  _C1_     7     1.53775   112.39508   -45.66883
    8     7 S   O2Z  _O11     8     1.26359   114.99875   -43.55864
    9     7 S   O2Z  _O12     9     1.26239   114.91528   135.57402
   10     5 S   CT   _CB1    10     1.53093   107.42739  -167.61073
   11    10 S   HC   HB11    11     1.09826   109.28320   -50.90555
   12    10 S   HC   HB12    12     1.09818   110.43191    65.62788
   13    10 S   CT   _CG1    13     1.53020   112.70349  -172.01446
   14    13 S   HC   HG11    14     1.09595   110.45499   -64.65757
   15    13 S   HC   HG12    15     1.09657   109.96057    54.56675
   16    13 S   C    _CD1    16     1.51827   112.31780   174.88056
   17    16 S   O    _OE1    17     1.22732   123.24918    -1.11995
   18    16 S   N    _N2_    18     1.38650   111.64472   179.24463
   19    18 S   H    _HN2    19     1.01572   119.12218     1.27580
   20    18 S   CT1  _CA2    20     1.46151   123.34982   179.63955
   21    20 S   HC   _HA2    21     1.09745   109.21871     0.13988
   22    20 S   C    _C2_    22     1.53558   109.66215  -115.39791
   23    22 S   O    _O2_    23     1.23115   122.12004  -154.03826
   24    20 S   CT   _CB2    32     1.53378   111.47768   121.89245
   25    24 S   HC   HB21    33     1.09612   110.12955    54.70758
   26    24 S   HC   HB22    34     1.09114   109.38743   172.91917
   27    22 S   N    _N3_    24     1.38422   113.96321    33.70473
   28    27 S   H    _HN3    25     1.01452   119.10256    -0.63551
   29    24 S   S    _SG2    35     1.83496   111.19365   -65.37329
   30    27 S   CT   _CA3    26     1.45318   122.81290   176.10917
   31    30 S   HC   HA31    27     1.09569   108.36437    39.69783
   32    30 S   HC   HA32    28     1.09469   107.34533   156.61345
   33    29 S   CT   _C15    36     1.87964   102.80441  -156.57090
   34    33 S   OM   _O36    37     1.32138   109.82877   -39.45706
   35    30 S   CO3  _C3_    29     1.52820   113.75315   -83.06043
   36    35 S   O2Z  _O31    30     1.26367   115.87127   -35.58577
   37    35 S   O2Z  _O32    31     1.26429   114.79404   144.85733
   38    33 S   CT   _C16    38     1.61434   108.78137  -157.32764
   39    33 S   OS   _O35    51     1.46555   114.87950    86.81745
   40    38 S   CT   _C17    39     1.55858   111.32450   179.82868
   41    40 S   HC   _H16    40     1.09526   111.82421   -64.43339
   42    40 S   HC   _H17    41     1.09533   111.76013    56.87613
   43    40 S   HC   _H18    42     1.09666   110.96968   176.40528
   44    38 S   CT   _C18    43     1.55457   110.78330   -62.94508
   45    44 S   HC   _H19    44     1.09420   112.20693    64.90177
   46    44 S   HC   _H20    45     1.09515   111.71502   -56.56775
   47    44 S   HC   _H21    46     1.09677   110.90031  -175.96323
   48    38 S   CT   _C19    47     1.55194   114.08047    58.29131
   49    48 S   HC   _H22    48     1.09422   112.26864   -62.60397
   50    48 S   HC   _H23    49     1.09512   111.87075    59.17607
   51    48 S   HC   _H24    50     1.09684   110.70740   178.30372
   52    39 S   CA   _C14    52     1.36360   119.67823   -42.35052
   53    52 S   CA   _C13    53     1.39468   119.21088    92.34666
   54    53 S   HA   _H15    54     1.08682   120.32256    -2.71476
   55    53 S   CA   _C12    55     1.39782   120.19313   177.69073
   56    55 S   HA   _H14    56     1.08754   118.77098   178.97168
   57    55 S   CA   _C11    57     1.40337   120.77934    -1.51620
   58    57 S   CA   _C10    58     1.40222   118.79066    -0.09891
   59    58 S   HA   _H13    59     1.08712   120.47181  -179.35989
   60    57 S   CT   _C20    77     1.51200   119.97726  -179.42973
   61    60 S   HC   _H3_    78     1.09699   109.39279    17.83980
   62    52 S   CA   _C9_    60     1.39387   121.41650   -94.23410
   63    60 S   CT   _C21    79     1.53049   112.10770  -103.95140
   64    63 S   HC   _H25    80     1.09491   112.16374    60.11565
   65    63 S   HC   _H26    81     1.09539   111.89376   -64.25168
   66    60 S   OH   _O37    89     1.43120   110.55306   134.34146
   67    66 S   HO   _H32    90     0.97332   107.93649   -41.20150
   68    62 S   OS   _O34    61     1.39660   120.88564     2.63997
   69    63 S   NP   _N4_    82     1.50246   108.28079   178.74993
   70    69 S   H    _H27    83     1.02987   108.24024    57.50775
   71    69 S   H    _H28    84     1.02879   109.56784   -57.59822
   72    68 S   CO4  _C8_    62     1.39359   112.69050   -88.81831
   73    72 S   O    _O33    63     1.22620   125.73654     0.76208
   74    69 S   CT   _C22    85     1.48548   114.69070   179.74359
   75    74 S   HC   _H29    86     1.09006   107.97174    67.19341
   76    74 S   HC   _H30    87     1.09230   107.32309  -174.02289
   77    74 S   HC   _H31    88     1.09213   108.59961   -54.48887
   78    72 S   CT   _C5_    64     1.53360   109.93946  -177.41684
   79    78 S   CT   _C4_    65     1.53405   108.97948    65.91173
   80    79 S   HC   _H4_    66     1.09565   111.24293   176.81672
   81    79 S   HC   _H5_    67     1.09590   111.54949   -62.99363
   82    79 S   HC   _H6_    68     1.09614   111.07267    56.48162
   83    78 S   CT   _C6_    69     1.53759   109.28544  -174.95003
   84    83 S   HC   _H7_    70     1.09580   111.31547  -180.00000
   85    83 S   HC   _H8_    71     1.09626   111.17291    59.78059
   86    83 S   HC   _H9_    72     1.09625   111.32420   -59.85932
   87    78 S   CT   _C7_    73     1.53347   110.34641   -55.47514
   88    87 S   HC   _H10    74     1.09579   111.23379  -174.47387
   89    87 S   HC   _H11    75     1.09572   111.04292   -54.19899
   90    87 S   HC   _H12    76     1.09522   111.61093    65.75776
  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
  18   6   2   1   1  14  10  11   4   3   2   7   3   2   1   3
   2   1   1  10   8   4   9   3  12   8   3  11   6   4  11   6
   5   2   1   6   6   5   4  14   4   3   2   1   1  12  11   4
   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    44    48    39    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    43    44    45    46    47    48    49    50    51    39    52    53    62  
   38    40    44    48    39    52  
   36    37  
   37  
    0  
   40    41    42    43    44    45    46    47    48    49    50    51    39    52  
   52    53    54    55    58    62    68    40    44    48  
   41    42    43    44    45    46    47    48    49    50    51  
   42    43    44    48  
   43    44    48  
   44    48  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59    62    68    72  
   54    55    56    57    58    62    68    60  
   55    56    57    62  
   56    57    58    59    62    60    61    63    66  
   57    58    60  
   58    59    62    68    60    61    63    64    65    69    66    67  
   59    62    68    72    60    61    63    66  
   62    68    60  
   61    63    64    65    69    70    71    74    66    67    62  
   63    64    65    69    66    67  
   68    72    73    78  
   64    65    69    70    71    74    75    76    77    66    67  
   65    69    70    71    74    66  
   69    70    71    74    66  
   67    69  
    0  
   72    73    78    79    83    87  
   70    71    74    75    76    77  
   71    74    75    76    77  
   74    75    76    77  
   73    78    79    80    81    82    83    84    85    86    87    88    89    90  
   78    79    83    87  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86    87    88    89    90  
   80    81    82    83    84    85    86    87    88    89    90  
   81    82    83    87  
   82    83    87  
   83    87  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   70   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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   268.000  1.529
   33    39   320.000  1.410
   38    40   268.000  1.529
   38    44   268.000  1.529
   38    48   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   39    52   450.000  1.364
   52    53   469.000  1.400
   52    62   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   317.000  1.510
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    68   450.000  1.364
   68    72   214.000  1.327
   72    73   570.000  1.229
   72    78   317.000  1.522
   78    79   268.000  1.529
   78    83   268.000  1.529
   78    87   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   367.000  1.471
   69    70   434.000  1.010
   69    71   434.000  1.010
   69    74   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   66    67   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  111.63000
   29    33    39    85.00000  114.68000
   33    38    40    58.35000  112.70000
   33    38    44    58.35000  112.70000
   33    38    48    58.35000  112.70000
   33    39    52    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    43    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    47    37.50000  110.70000
   38    48    49    37.50000  110.70000
   38    48    50    37.50000  110.70000
   38    48    51    37.50000  110.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    38    40    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    38    40    58.35000  112.70000
   48    38    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   39    33    34   110.00000  112.65000
   39    33    38    50.00000  109.50000
   39    52    53    70.00000  120.00000
   39    52    62    70.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    55    63.00000  120.00000
   52    62    58    63.00000  120.00000
   52    62    68    70.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    62    63.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    63    70.00000  112.17500
   57    60    66    90.00000  112.51600
   58    62    68    70.00000  120.00000
   62    52    53    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    68    72    85.00000  115.98000
   68    72    73    83.00000  123.40000
   68    72    78    81.00000  111.40000
   72    78    79    63.00000  111.10000
   72    78    83    63.00000  111.10000
   72    78    87    63.00000  111.10000
   78    72    73    80.00000  120.40000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    82    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   78    87    88    37.50000  110.70000
   78    87    89    37.50000  110.70000
   78    87    90    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    78    79    58.35000  112.70000
   87    78    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   60    57    58    70.00000  120.00000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    69    80.00000  111.20000
   60    66    67    55.00000  108.50000
   63    60    61    37.50000  110.70000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    74    75.00000  113.01200
   65    63    64    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    65    35.00000  109.50000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   71    69    70    35.00000  109.50000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    63    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   0.01700  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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    38    48   0.44750  1.0 1.0
   29    33    38    48  -0.17800 -1.0 2.0
   29    33    38    48   0.20200  1.0 3.0
   29    33    39    52   0.14700  1.0 1.0
   29    33    39    52  -1.16150 -1.0 2.0
   29    33    39    52   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    43   0.15000  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    46   0.15000  1.0 3.0
   33    38    44    47   0.15000  1.0 3.0
   33    38    48    49   0.15000  1.0 3.0
   33    38    48    50   0.15000  1.0 3.0
   33    38    48    51   0.15000  1.0 3.0
   33    39    52    53   1.63200 -1.0 2.0
   33    39    52    62   1.63200 -1.0 2.0
   34    33    38    40   0.62750  1.0 1.0
   34    33    38    40  -0.30950 -1.0 2.0
   34    33    38    40   0.27300  1.0 3.0
   34    33    38    44   0.62750  1.0 1.0
   34    33    38    44  -0.30950 -1.0 2.0
   34    33    38    44   0.27300  1.0 3.0
   34    33    38    48   0.62750  1.0 1.0
   34    33    38    48  -0.30950 -1.0 2.0
   34    33    38    48   0.27300  1.0 3.0
   34    33    39    52  -0.25600  1.0 1.0
   34    33    39    52  -0.40050 -1.0 2.0
   34    33    39    52   0.34700  1.0 3.0
   38    33    39    52  -0.32850  1.0 1.0
   38    33    39    52  -0.35800 -1.0 2.0
   38    33    39    52   0.33950  1.0 3.0
   40    38    44    45   0.15000  1.0 3.0
   40    38    44    46   0.15000  1.0 3.0
   40    38    44    47   0.15000  1.0 3.0
   40    38    48    49   0.15000  1.0 3.0
   40    38    48    50   0.15000  1.0 3.0
   40    38    48    51   0.15000  1.0 3.0
   44    38    40    41   0.15000  1.0 3.0
   44    38    40    42   0.15000  1.0 3.0
   44    38    40    43   0.15000  1.0 3.0
   44    38    48    49   0.15000  1.0 3.0
   44    38    48    50   0.15000  1.0 3.0
   44    38    48    51   0.15000  1.0 3.0
   48    38    40    41   0.15000  1.0 3.0
   48    38    40    42   0.15000  1.0 3.0
   48    38    40    43   0.15000  1.0 3.0
   48    38    44    45   0.15000  1.0 3.0
   48    38    44    46   0.15000  1.0 3.0
   48    38    44    47   0.15000  1.0 3.0
   39    33    38    40   0.62750  1.0 1.0
   39    33    38    40  -0.30950 -1.0 2.0
   39    33    38    40   0.27300  1.0 3.0
   39    33    38    44   0.62750  1.0 1.0
   39    33    38    44  -0.30950 -1.0 2.0
   39    33    38    44   0.27300  1.0 3.0
   39    33    38    48   0.62750  1.0 1.0
   39    33    38    48  -0.30950 -1.0 2.0
   39    33    38    48   0.27300  1.0 3.0
   39    52    53    54   3.62500 -1.0 2.0
   39    52    53    55   3.62500 -1.0 2.0
   39    52    62    58   3.62500 -1.0 2.0
   39    52    62    68   3.62500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    57   3.62500 -1.0 2.0
   52    62    68    72   0.01300  1.0 1.0
   52    62    68    72   0.97950 -1.0 2.0
   52    62    68    72  -0.55700  1.0 3.0
   53    52    62    58   3.62500 -1.0 2.0
   53    52    62    68   3.62500 -1.0 2.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    62   3.62500 -1.0 2.0
   55    57    60    61   0.00000  1.0 1.0
   55    57    60    63   0.04150 -1.0 2.0
   55    57    60    66   0.14300 -1.0 2.0
   55    57    60    66   0.00300  1.0 3.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   57    58   -62    52   3.62500 -1.0 2.0
   57    58    62    68   3.62500 -1.0 2.0
   57    60    63    64   0.43200  1.0 3.0
   57    60    63    65   0.43200  1.0 3.0
   57    60    63    69   1.24050  1.0 1.0
   57    60    63    69   0.48100 -1.0 2.0
   57    60    63    69   1.08150  1.0 3.0
   57    60    66    67   0.31900  1.0 1.0
   57    60    66    67  -0.11800 -1.0 2.0
   57    60    66    67   0.38750  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    63   0.04150 -1.0 2.0
   58    57    60    66   0.14300 -1.0 2.0
   58    57    60    66   0.00300  1.0 3.0
   58    62    68    72   0.01300  1.0 1.0
   58    62    68    72   0.97950 -1.0 2.0
   58    62    68    72  -0.55700  1.0 3.0
   59    58    62    52   3.62500 -1.0 2.0
   59    58    62    68   3.62500 -1.0 2.0
   62    52    53    54   3.62500 -1.0 2.0
   62    52   -53    55   3.62500 -1.0 2.0
   62    68    72    73   3.00000 -1.0 2.0
   62    68    72    78   0.75600  1.0 1.0
   62    68    72    78   1.63000 -1.0 2.0
   68    72    78    79   0.36750  1.0 3.0
   68    72    78    83   0.36750  1.0 3.0
   68    72    78    87   0.36750  1.0 3.0
   72    78    79    80  -0.11250  1.0 3.0
   72    78    79    81  -0.11250  1.0 3.0
   72    78    79    82  -0.11250  1.0 3.0
   72    78    83    84  -0.11250  1.0 3.0
   72    78    83    85  -0.11250  1.0 3.0
   72    78    83    86  -0.11250  1.0 3.0
   72    78    87    88  -0.11250  1.0 3.0
   72    78    87    89  -0.11250  1.0 3.0
   72    78    87    90  -0.11250  1.0 3.0
   73    72    78    79   0.30150 -1.0 2.0
   73    72    78    83   0.30150 -1.0 2.0
   73    72    78    87   0.30150 -1.0 2.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.15000  1.0 3.0
   79    78    87    88   0.15000  1.0 3.0
   79    78    87    89   0.15000  1.0 3.0
   79    78    87    90   0.15000  1.0 3.0
   83    78    79    80   0.15000  1.0 3.0
   83    78    79    81   0.15000  1.0 3.0
   83    78    79    82   0.15000  1.0 3.0
   83    78    87    88   0.15000  1.0 3.0
   83    78    87    89   0.15000  1.0 3.0
   83    78    87    90   0.15000  1.0 3.0
   87    78    79    80   0.15000  1.0 3.0
   87    78    79    81   0.15000  1.0 3.0
   87    78    79    82   0.15000  1.0 3.0
   87    78    83    84   0.15000  1.0 3.0
   87    78    83    85   0.15000  1.0 3.0
   87    78    83    86   0.15000  1.0 3.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    62   3.62500 -1.0 2.0
   60    63    69    70   0.17350  1.0 3.0
   60    63    69    71   0.17350  1.0 3.0
   60    63    69    74   0.47100  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    69   0.19200  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   63    60    66    67  -0.11600  1.0 1.0
   63    60    66    67  -0.09450 -1.0 2.0
   63    60    66    67   0.21250  1.0 3.0
   63    69    74    75   0.15000  1.0 3.0
   63    69    74    76   0.15000  1.0 3.0
   63    69    74    77   0.15000  1.0 3.0
   64    63    69    70   0.13050  1.0 3.0
   64    63    69    71   0.13050  1.0 3.0
   64    63    69    74   0.15000  1.0 3.0
   65    63    69    70   0.13050  1.0 3.0
   65    63    69    71   0.13050  1.0 3.0
   65    63    69    74   0.15000  1.0 3.0
   70    69    74    75   0.13050  1.0 3.0
   70    69    74    76   0.13050  1.0 3.0
   70    69    74    77   0.13050  1.0 3.0
   71    69    74    75   0.13050  1.0 3.0
   71    69    74    76   0.13050  1.0 3.0
   71    69    74    77   0.13050  1.0 3.0
   66    60    63    64   0.23400  1.0 3.0
   66    60    63    65   0.23400  1.0 3.0
   66    60    63    69   1.69300  1.0 1.0
   66    60    63    69  -0.48450 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   53    62    52    39   4.00000 -1.0 2.0
   55    54    53    52   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   62    59    58    57   1.10000 -1.0 2.0
   58    68    62    52   4.00000 -1.0 2.0
   68    78    72    73  10.50000 -1.0 2.0
END
