* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    163    237     474
    1     0 S   NP   _N1_     1    28.51455    96.42007   -21.88647
    2     1 S   H    _HN1     2     1.02957    75.79319    41.00945
    3     1 S   H    _H1_     3     1.02840    44.57891   174.50706
    4     1 S   H    _H2_     4     1.02793    88.74670   -68.18671
    5     1 S   CT   _CA1     5     1.50013   153.47873   148.51721
    6     5 S   HC   _HA1     6     1.09617   105.18630    78.06961
    7     5 S   CO3  _C1_     7     1.53824   112.66108   -41.66128
    8     7 S   O2Z  _O11     8     1.26312   115.02423   -46.49924
    9     7 S   O2Z  _O12     9     1.26334   114.92241   133.03932
   10     5 S   CT   _CB1    10     1.53246   107.45387  -164.57220
   11    10 S   HC   HB11    11     1.09783   108.93339   -57.06092
   12    10 S   HC   HB12    12     1.09794   110.71028    59.50434
   13    10 S   CT   _CG1    13     1.52748   112.21857  -178.53206
   14    13 S   HC   HG11    14     1.09455   109.76885   -70.72736
   15    13 S   HC   HG12    15     1.09687   109.81513    48.04682
   16    13 S   C    _CD1    16     1.51644   113.62362   168.03933
   17    16 S   O    _OE1    17     1.22643   123.47668    -7.81193
   18    16 S   N    _N2_    18     1.38755   111.09049   174.36024
   19    18 S   H    _HN2    19     1.01526   119.03306    -2.90050
   20    18 S   CT1  _CA2    20     1.46176   123.66256   171.29284
   21    20 S   HC   _HA2    21     1.09681   109.36258     6.41023
   22    20 S   C    _C2_    22     1.53947   109.14464  -109.64334
   23    22 S   O    _O2_    23     1.23080   121.91459  -163.11300
   24    20 S   CT   _CB2    32     1.53388   111.53371   129.14378
   25    24 S   HC   HB21    33     1.09345   109.29955    58.16300
   26    24 S   HC   HB22    34     1.09527   109.69188   176.50408
   27    22 S   N    _N3_    24     1.38132   114.29107    21.89208
   28    27 S   H    _HN3    25     1.01508   119.19401     0.69914
   29    24 S   S    _SG2    35     1.83353   111.48960   -63.99022
   30    27 S   CT   _CA3    26     1.45253   124.01074  -179.76097
   31    30 S   HC   HA31    27     1.09502   107.38251   -77.43609
   32    30 S   HC   HA32    28     1.09540   108.49995    39.42743
   33    29 S   CT   _C15    36     1.88234   102.81980   166.15546
   34    33 S   OM   _O36    37     1.32107   109.95965    35.81189
   35    30 S   CO3  _C3_    29     1.53041   113.31064   161.94316
   36    35 S   O2Z  _O31    30     1.26452   115.90550    13.02027
   37    35 S   O2Z  _O32    31     1.26362   114.64696  -166.68661
   38    33 S   CT   _C16    38     1.61393   108.84498   153.81178
   39    33 S   OS   _O35    51     1.46415   115.30171   -89.90694
   40    38 S   CT   _C17    39     1.55182   114.04269   -58.22413
   41    40 S   HC   _H16    40     1.09512   111.86377   -59.16032
   42    40 S   HC   _H17    41     1.09420   112.26761    62.61469
   43    40 S   HC   _H18    42     1.09683   110.71330  -178.29223
   44    38 S   CT   _C18    43     1.55436   110.76697    62.99456
   45    44 S   HC   _H19    44     1.09511   111.69886    56.75730
   46    44 S   HC   _H20    45     1.09418   112.21544   -64.71380
   47    44 S   HC   _H21    46     1.09677   110.89940   176.13279
   48    38 S   CT   _C19    47     1.55881   111.36417  -179.77883
   49    48 S   HC   _H22    48     1.09535   111.74719   -57.20138
   50    48 S   HC   _H23    49     1.09532   111.85946    64.09934
   51    48 S   HC   _H24    50     1.09667   110.95909  -176.69820
   52    39 S   CA   _C14    52     1.36282   119.89140    37.20854
   53    52 S   CA   _C13    53     1.39394   119.05829   -92.56543
   54    53 S   HA   _H15    54     1.08676   120.37025     3.36302
   55    53 S   CA   _C12    55     1.39691   120.09630  -176.80831
   56    55 S   HA   _H14    56     1.08796   118.77924  -179.21043
   57    55 S   CA   _C11    57     1.40480   120.89148     1.05906
   58    57 S   CA   _C10    58     1.40065   118.77030     0.81685
   59    58 S   HA   _H13    59     1.08700   120.53876   179.09388
   60    57 S   CT   _C20    77     1.51321   120.98065  -178.85175
   61    60 S   HC   _H3_    78     1.09670   109.68778  -163.00427
   62    52 S   CA   _C9_    60     1.39415   121.46113    94.84787
   63    60 S   CT   _C21    79     1.53005   111.09903    75.54446
   64    63 S   HC   _H25    80     1.09535   111.89657    62.53009
   65    63 S   HC   _H26    81     1.09310   111.72248   -61.05046
   66    60 S   OH   _O37    89     1.42928   110.71499   -46.01309
   67    66 S   HO   _H32    90     0.97304   108.16491   -39.50888
   68    62 S   OS   _O34    61     1.39695   120.84987    -3.36505
   69    63 S   NP   _N4_    82     1.49798   109.25326  -178.16912
   70    69 S   H    _H27    83     1.03081   107.97967    60.38146
   71    69 S   H    _H28    84     1.02852   109.96433   -54.94228
   72    68 S   CO4  _C8_    62     1.39387   112.68253    88.55816
   73    72 S   O    _O33    63     1.22619   125.71517    -0.93774
   74    69 S   CT   _C22    85     1.48664   114.20916  -178.09217
   75    74 S   HC   _H29    86     1.09169   108.05537    64.70174
   76    74 S   HC   _H30    87     1.09217   107.35497  -176.20084
   77    74 S   HC   _H31    88     1.09242   108.51911   -56.64824
   78    72 S   CT   _C5_    64     1.53365   109.97450   177.19097
   79    78 S   CT   _C4_    65     1.53339   110.37517    55.54614
   80    79 S   HC   _H4_    66     1.09580   111.23166   174.44226
   81    79 S   HC   _H5_    67     1.09525   111.58615   -65.82019
   82    79 S   HC   _H6_    68     1.09589   111.06163    54.16476
   83    78 S   CT   _C6_    69     1.53764   109.28066   175.02862
   84    83 S   HC   _H7_    70     1.09580   111.31627   179.97202
   85    83 S   HC   _H8_    71     1.09625   111.32511    59.84321
   86    83 S   HC   _H9_    72     1.09626   111.17257   -59.79780
   87    78 S   CT   _C7_    73     1.53408   108.97560   -65.84979
   88    87 S   HC   _H10    74     1.09565   111.24334  -176.80230
   89    87 S   HC   _H11    75     1.09614   111.07340   -56.46770
   90    87 S   HC   _H12    76     1.09589   111.54911    63.00882
  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
