* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    220     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02072    94.53653   -61.22618
    3     1 S   H    _H1_     3     1.02094    85.63139    47.22230
    4     1 S   H    _H2_     4     1.02089    33.60424  -178.71610
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C14    36     1.84931    97.24586   161.87039
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C5_    37     1.50959   106.46771    59.97459
   38    37 S   HC   _H27    38     1.09129   116.24156   -72.01124
   39    33 S   OS   _O25    76     1.43131   108.78178   -55.48419
   40    37 S   CMA  _C6_    39     1.35576   124.97006   108.88304
   41    40 S   OM   _O17    40     1.26320   126.83598   178.69224
   42    39 S   CT   _C16    77     1.41760   111.15804   -65.13967
   43    42 S   HC   _H37    78     1.09293   109.50311   179.92867
   44    42 S   HC   _H38    79     1.09273   109.55860    59.19596
   45    42 S   HC   _H39    80     1.09216   109.00415   -60.46514
   46    40 S   NE   _N16    41     1.42421   119.62506    -1.39592
   47    46 S   CT   _C11    42     1.48048   120.98951    -9.68442
   48    47 S   HC   _H32    43     1.09847   109.62881   156.05941
   49    46 S   CT   _C15    72     1.47266   124.22845   162.09764
   50    49 S   HC   _H34    73     1.09274   110.11985  -180.00000
   51    49 S   HC   _H35    74     1.09346   110.25521    59.94035
   52    49 S   HC   _H36    75     1.09387   110.20447   -59.98292
   53    33 S   CT   _C13    44     1.55597   114.27611  -177.12485
   54    47 S   OH   _O22    70     1.42572   109.88838   -86.29644
   55    54 S   HO   _H45    71     0.96946   106.49581   -57.41992
   56    53 S   CZ   _C4_    45     1.47850   112.44318    47.08198
   57    56 S   NZ   _N15    46     1.15942   180.00000   -95.71288
   58    53 S   OS1  _O24    47     1.43873   108.92703   163.96604
   59    58 S   CO1  _C12    48     1.41470   110.87825   178.91610
   60    59 S   HC   _H33    49     1.09773   107.43052    30.02232
   61    59 S   CT   _C9_    50     1.52880   107.81523   149.60629
   62    61 S   HC   _H30    51     1.09722   110.66828    51.43502
   63    61 S   CT   _C7_    52     1.52843   111.34383   173.94573
   64    63 S   HC   _H28    53     1.09760   110.91837    74.78808
   65    61 S   OH5  _O21    68     1.42604   109.52623   -66.25580
   66    65 S   HO   _H44    69     0.96978   106.45986   -61.61278
   67    63 S   CT   _C8_    54     1.52945   111.21999   -48.54448
   68    67 S   HC   _H29    55     1.09779   108.90321   -72.62846
   69    63 S   OH5  _O19    66     1.42837   109.19378  -168.23081
   70    69 S   HO   _H42    67     0.96897   106.39106    61.35632
   71    67 S   CT   _C10    56     1.53026   110.76797    49.55931
   72    71 S   HC   _H31    57     1.09820   110.55126    64.81874
   73    67 S   OH5  _O20    64     1.42577   108.01900   170.61251
   74    73 S   HO   _H43    65     0.96901   106.57681   -60.05261
   75    59 S   OS1  _O18    58     1.42555   109.86405   -89.89839
   76    71 S   CT   _C17    59     1.52613   112.23482  -175.07447
   77    76 S   HC   _H40    60     1.08966   109.95257   -59.97831
   78    76 S   HC   _H41    61     1.08901   109.98830   179.01623
   79    76 S   OH5  _O23    62     1.41619   108.54485    59.51066
   80    79 S   HO   _H46    63     0.97241   107.07000  -179.93744
  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  10   5   4   3
  18   2   1   1  11   5   9  10   3   4   2   1   1  11  12   6
   5   2   1   1   9   3   1   3   1   8  13   6  12   7  13   7
   4   1  12   7   3   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    53    56    58    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    53    56    57    58    59    54    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    53    56    58    49    39    42  
   40    41    46    53    39  
   42    43    44    45    40    47    53    56    58  
   41    46    47    48    53    54    49    50    51    52  
   46    47    49  
   43    44    45    53  
   44    45  
   45  
    0  
   47    48    53    56    58    54    55    49    50    51    52  
   48    53    56    57    58    59    54    55    49    50    51    52  
   53    56    58    54    55    49  
   50    51    52    53    54  
   51    52  
   52  
    0  
   56    57    58    59    60    61    75    54    55  
   55    56    58  
    0  
   57    58    59  
   58  
   59    60    61    62    63    71    75    65  
   60    61    62    63    64    67    71    72    75    76    69    65    66  
   61    62    63    71    75    65  
   62    63    64    67    68    71    75    73    69    70    65    66  
   63    64    67    75    69    65    66  
   64    67    68    71    72    75    76    73    74    69    70    65    66  
   67    68    71    73    69    70    65  
   66    67    69    75  
    0  
   68    71    72    75    76    77    78    79    73    74    69    70  
   71    72    75    76    73    74    69  
   70    71    73  
    0  
   72    75    76    77    78    79    80    73    74  
   75    76    77    78    79    73  
   74    75    76  
    0  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   47   3.5000   0.0660   0.440300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.055300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   57   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    53   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   415.000  1.382
   46    47   382.000  1.448
   46    49   382.000  1.448
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    54   320.000  1.410
   53    56   390.000  1.470
   53    58   335.000  1.422
   56    57   650.000  1.157
   58    59   370.000  1.399
   59    60   360.000  1.097
   59    61   255.000  1.525
   59    75   370.000  1.399
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   355.000  1.421
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   335.000  1.422
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   355.000  1.421
   79    80   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   65    66   580.000  0.967
   54    55   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    53    47    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    53    58    95.00000  107.88500
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    75.00000  114.40000
   40    37    38    40.00000  120.50800
   40    46    47    50.00000  121.00000
   40    46    49    50.00000  121.00000
   46    40    41   105.00000  113.92000
   46    47    48    35.00000  109.50000
   46    47    53    80.00000  111.61500
   46    47    54    95.00000  114.90300
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   47    53    56    58.35000  112.70000
   47    53    58    95.00000  107.88500
   47    54    55    55.00000  108.50000
   53    33    37    70.00000  112.02700
   53    47    48    37.50000  110.70000
   53    56    57   150.00000  180.00000
   53    58    59    90.00000  112.10700
   58    53    56    90.00000  109.17800
   58    59    60    60.00000  105.75400
   58    59    61    90.00000  109.70700
   58    59    75   110.00000  113.16000
   59    61    62    45.00000  109.54000
   59    61    63    70.00000  111.10000
   59    61    65    90.00000  109.42000
   59    75    71    90.00000  112.10700
   61    59    60    45.00000  111.65000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    69    90.00000  111.45300
   61    65    66    65.00000  108.53500
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    73    90.00000  111.45300
   63    69    70    65.00000  108.53500
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    95.00000  107.88500
   67    71    76    58.35000  112.70000
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    90.00000  111.45300
   75    59    60    60.00000  105.75400
   75    59    61    90.00000  109.70700
   75    71    72    55.00000  108.98800
   76    71    72    37.50000  110.70000
   76    71    75    95.00000  107.88500
   76    79    80    65.00000  108.53500
   78    76    77    33.00000  107.80000
   79    76    77    60.00000  109.39000
   79    76    78    60.00000  109.39000
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    63    64    60.00000  109.39000
   69    63    67    90.00000  111.45300
   65    61    62    60.00000  109.39000
   65    61    63    90.00000  111.45300
   54    47    48    35.00000  109.50000
   54    47    53    50.00000  109.50000
   49    46    47    50.00000  115.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    53    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    53    56    57   0.00000  1.0 1.0
   33    53    58    59   0.06250  1.0 1.0
   33    53    58    59  -0.01100 -1.0 2.0
   33    53    58    59   0.28050  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    53    47   0.34400  1.0 1.0
   37    33    53    47   0.09450 -1.0 2.0
   37    33    53    47   0.11100  1.0 3.0
   37    33    53    56   0.56750  1.0 1.0
   37    33    53    56  -0.07550 -1.0 2.0
   37    33    53    56   0.20000  1.0 3.0
   37    33    53    58   0.61850  1.0 1.0
   37    33    53    58  -0.22750 -1.0 2.0
   37    33    53    58   0.15300  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47  -0.54700  1.0 1.0
   37    40   -46    47   1.23000 -1.0 2.0
   37    40    46    49  -0.54700  1.0 1.0
   37    40    46    49   1.23000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   0.00000  1.0 1.0
   40    46    47    53   0.25450  1.0 1.0
   40    46    47    53  -0.61700 -1.0 2.0
   40    46    47    53  -0.23550  1.0 3.0
   40    46    47    54   0.75000  1.0 1.0
   40    46    47    54  -0.75000 -1.0 2.0
   40    46    49    50   0.00000  1.0 1.0
   40    46    49    51   0.00000  1.0 1.0
   40    46    49    52   0.00000  1.0 1.0
   41    40    46    47   1.00000 -1.0 2.0
   41    40    46    49   1.00000 -1.0 2.0
   46    47   -53    33   1.26750  1.0 1.0
   46    47   -53    33  -0.00950 -1.0 2.0
   46    47   -53    33   0.30600  1.0 3.0
   46    47    53    56   0.56750  1.0 1.0
   46    47    53    56  -0.07550 -1.0 2.0
   46    47    53    56   0.20000  1.0 3.0
   46    47    53    58   2.03850  1.0 1.0
   46    47    53    58  -0.40600 -1.0 2.0
   46    47    54    55   0.09550  1.0 1.0
   46    47    54    55   0.17350 -1.0 2.0
   46    47    54    55  -0.55000  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
   47    53    56    57   0.00000  1.0 1.0
   47    53    58    59   0.06250  1.0 1.0
   47    53    58    59  -0.01100 -1.0 2.0
   47    53    58    59   0.28050  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   48    47    53    58   0.23400  1.0 3.0
   48    47    54    55   0.19450  1.0 3.0
   53    33    37    38   0.00000  1.0 1.0
   53    33   -37    40   0.09850  1.0 1.0
   53    33   -37    40   0.15250 -1.0 2.0
   53    33   -37    40  -0.50650  1.0 3.0
   53    33    39    42   0.06250  1.0 1.0
   53    33    39    42  -0.01100 -1.0 2.0
   53    33    39    42   0.28050  1.0 3.0
   53    47    54    55  -0.11600  1.0 1.0
   53    47    54    55  -0.09450 -1.0 2.0
   53    47    54    55   0.21250  1.0 3.0
   53    58    59    60   0.37050  1.0 3.0
   53    58    59    61   0.06250  1.0 1.0
   53    58    59    61  -0.01100 -1.0 2.0
   53    58    59    61   0.28050  1.0 3.0
   53    58    59    75  -0.12700  1.0 1.0
   53    58    59    75  -1.16200 -1.0 2.0
   53    58    59    75   0.58800  1.0 3.0
   56    53    58    59   0.37500  1.0 3.0
   58    53    56    57   0.00000  1.0 1.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.62750  1.0 1.0
   58    59    61    63  -0.30950 -1.0 2.0
   58    59    61    63   0.27300  1.0 3.0
   58    59    61    65   1.51850  1.0 1.0
   58    59    75    71  -0.70400  1.0 1.0
   58    59    75    71  -0.90350 -1.0 2.0
   59    61    63    64   0.15000  1.0 3.0
   59    61    63    67   0.56750  1.0 1.0
   59    61    63    67  -0.07550 -1.0 2.0
   59    61    63    67   0.20000  1.0 3.0
   59    61    63    69  -0.47750  1.0 1.0
   59    61    65    66   0.29150  1.0 1.0
   59    61    65    66  -0.28350 -1.0 2.0
   59    61    65    66   0.43600  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    65   0.23400  1.0 3.0
   60    59    75    71   0.37050  1.0 3.0
   61    59    75    71   0.06250  1.0 1.0
   61    59    75    71  -0.01100 -1.0 2.0
   61    59    75    71   0.28050  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63   -67    71   0.56750  1.0 1.0
   61    63   -67    71  -0.07550 -1.0 2.0
   61    63   -67    71   0.20000  1.0 3.0
   61    63    67    73  -0.47750  1.0 1.0
   61    63    69    70   0.29150  1.0 1.0
   61    63    69    70  -0.28350 -1.0 2.0
   61    63    69    70   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66   0.29150  1.0 1.0
   63    61    65    66  -0.28350 -1.0 2.0
   63    61    65    66   0.43600  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    75   0.62750  1.0 1.0
   63    67    71    75  -0.30950 -1.0 2.0
   63    67    71    75   0.27300  1.0 3.0
   63    67    71    76   0.56750  1.0 1.0
   63    67    71    76  -0.07550 -1.0 2.0
   63    67    71    76   0.20000  1.0 3.0
   63    67    73    74   0.29150  1.0 1.0
   63    67    73    74  -0.28350 -1.0 2.0
   63    67    73    74   0.43600  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    73   0.23400  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70   0.29150  1.0 1.0
   67    63    69    70  -0.28350 -1.0 2.0
   67    63    69    70   0.43600  1.0 3.0
   67    71   -75    59   0.06250  1.0 1.0
   67    71   -75    59  -0.01100 -1.0 2.0
   67    71   -75    59   0.28050  1.0 3.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79  -0.47750  1.0 1.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    76    79    80   0.29150  1.0 1.0
   71    76    79    80  -0.28350 -1.0 2.0
   71    76    79    80   0.43600  1.0 3.0
   72    71    75    59   0.37050  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.23400  1.0 3.0
   75    59    61    62   0.23400  1.0 3.0
   75    59   -61    63   0.62750  1.0 1.0
   75    59   -61    63  -0.30950 -1.0 2.0
   75    59   -61    63   0.27300  1.0 3.0
   75    59    61    65   1.51850  1.0 1.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   1.51850  1.0 1.0
   76    71    75    59   0.06250  1.0 1.0
   76    71    75    59  -0.01100 -1.0 2.0
   76    71    75    59   0.28050  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80   0.19450  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   1.51850  1.0 1.0
   73    67    71    76  -0.47750  1.0 1.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71  -0.47750  1.0 1.0
   69    63    67    73   3.77950  1.0 1.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67  -0.47750  1.0 1.0
   65    61    63    69   3.77950  1.0 1.0
   54    47    53    33   0.86500  1.0 1.0
   54    47    53    33  -0.17500 -1.0 2.0
   54    47    53    33   0.20800  1.0 3.0
   54    47    53    56   0.56750  1.0 1.0
   54    47    53    56  -0.07550 -1.0 2.0
   54    47    53    56   0.20000  1.0 3.0
   54    47    53    58   3.69350  1.0 1.0
   54    47    53    58  -1.82950 -1.0 2.0
   49    46    47    48   0.00000  1.0 1.0
   49    46    47    53   0.00000  1.0 1.0
   49    46    47    54   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    53    47   0.62750  1.0 1.0
   39    33    53    47  -0.30950 -1.0 2.0
   39    33    53    47   0.27300  1.0 3.0
   39    33    53    56   0.56750  1.0 1.0
   39    33    53    56  -0.07550 -1.0 2.0
   39    33    53    56   0.20000  1.0 3.0
   39    33    53    58   1.11900  1.0 1.0
   39    33    53    58  -1.16350 -1.0 2.0
   39    33    53    58  -0.34150  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   49    40    46    47   1.00000 -1.0 2.0
END
