* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    147    226     439
    1     0 S   NP   _N1_     1    28.07631    97.33522   -24.92692
    2     1 S   H    _HN1     2     1.02776   110.61687   -93.61556
    3     1 S   H    _H1_     3     1.02957    67.86240     8.50233
    4     1 S   H    _H2_     4     1.02835    40.56375   172.63329
    5     1 S   CT   _CA1     5     1.50123   134.79103   105.74152
    6     5 S   HC   _HA1     6     1.09574   105.22180    98.92180
    7     5 S   CO3  _C1_     7     1.53791   112.39138   -21.28143
    8     7 S   O2Z  _O11     8     1.26364   115.00046   -43.39254
    9     7 S   O2Z  _O12     9     1.26240   114.93527   135.76905
   10     5 S   CT   _CB1    10     1.53102   107.42919  -143.15160
   11    10 S   HC   HB11    11     1.09825   109.34471   -50.51459
   12    10 S   HC   HB12    12     1.09816   110.41769    66.04845
   13    10 S   CT   _CG1    13     1.53010   112.66148  -171.59295
   14    13 S   HC   HG11    14     1.09595   110.47570   -64.13588
   15    13 S   HC   HG12    15     1.09656   109.93089    55.05721
   16    13 S   C    _CD1    16     1.51834   112.35415   175.43717
   17    16 S   O    _OE1    17     1.22748   123.30596    -0.48618
   18    16 S   N    _N2_    18     1.38550   111.66602   179.56931
   19    18 S   H    _HN2    19     1.01549   119.03430     4.66413
   20    18 S   CT1  _CA2    20     1.45850   122.93137   178.27819
   21    20 S   HC   _HA2    21     1.09731   108.92512    24.04912
   22    20 S   C    _C2_    22     1.52949   107.02405   -92.95052
   23    22 S   O    _O2_    23     1.22973   122.97367   -24.74607
   24    20 S   CT   _CB2    32     1.53236   112.20357   147.17650
   25    24 S   HC   HB21    33     1.09495   110.07498    56.00049
   26    24 S   HC   HB22    34     1.09518   110.14945   174.83464
   27    22 S   N    _N3_    24     1.38636   112.47403   157.92387
   28    27 S   H    _HN3    25     1.01514   119.73422     1.16516
   29    24 S   S    _SG2    35     1.82570   111.10348   -65.09742
   30    27 S   CT   _CA3    26     1.45419   122.56290   175.91735
   31    30 S   HC   HA31    27     1.09560   108.60721    36.03280
   32    30 S   HC   HA32    28     1.09476   107.20186   153.05912
   33    29 S   CT   _C15    36     1.84299    99.53330  -175.73749
   34    33 S   HC   _H11    37     1.09524   107.32861    42.97946
   35    30 S   CO3  _C3_    29     1.53087   114.06656   -86.67588
   36    35 S   O2Z  _O31    30     1.26325   116.07678   -25.73543
   37    35 S   O2Z  _O32    31     1.26451   114.50932   155.07780
   38    33 S   CM   _C16    38     1.50791   107.85050   160.25176
   39    38 S   OS   _O41    39     1.38549   119.60212    80.81247
   40    38 S   CMA  _C17    79     1.51992   121.83268   -86.33897
   41    40 S   OM   _O39    80     1.26307   121.08836   132.41431
   42    40 S   OM   _O40    81     1.26284   120.49367   -48.38382
   43    39 S   CO   _C12    40     1.43204   113.50760    49.64658
   44    43 S   HC   _H8_    41     1.09712   107.44148  -172.05327
   45    43 S   CT   _C13    42     1.53506   110.48095   -55.61640
   46    45 S   HC   _H9_    43     1.09693   108.20957   -61.14136
   47    43 S   OS   _O38    50     1.43375   113.48509    68.51038
   48    33 S   CT   _C14    44     1.53691   111.57860   -76.81092
   49    48 S   HC   _H10    45     1.09502   112.10098    43.51594
   50    45 S   OH   _O43    48     1.42583   110.18171  -177.75903
   51    50 S   HO   _H22    49     0.97195   107.61689  -170.39499
   52    47 S   CT   _C7_    51     1.43183   114.63969    75.02177
   53    52 S   HC   _H4_    52     1.09880   110.13449    29.06080
   54    48 S   OH   _O42    46     1.43253   109.55321   159.58283
   55    54 S   HO   _H21    47     0.97229   107.89303   -52.75037
   56    52 S   CT   _C6_    53     1.53988   107.73522   147.05605
   57    56 S   HC   _H3_    54     1.09776   109.41246    51.61841
   58    56 S   CO   _C10    55     1.53852   110.44938   172.21150
   59    58 S   HC   _H7_    56     1.09760   110.76636    68.06494
   60    56 S   N    _N4_    71     1.46789   109.56766   -65.94184
   61    60 S   H    _H15    72     1.01519   117.81159   -45.18721
   62    58 S   OS   _O34    57     1.42517   111.08753   -53.83736
   63    58 S   OH   _O35    69     1.42579   108.82199  -173.70867
   64    63 S   HO   _H16    70     0.97161   106.63307  -160.49491
   65    60 S   C    _C5_    73     1.38343   123.30876   136.36949
   66    65 S   O    _O33    74     1.22744   125.89920     0.28531
   67    62 S   CT   _C9_    58     1.43487   113.23074    60.48909
   68    67 S   HC   _H6_    59     1.09787   108.00831    58.53848
   69    65 S   CT   _C4_    75     1.50473   112.14615  -179.92338
   70    69 S   HC   _H12    76     1.09378   109.94299    56.41343
   71    69 S   HC   _H13    77     1.09347   109.75042   176.10892
   72    69 S   HC   _H14    78     1.09356   109.70283   -64.09385
   73    52 S   CT   _C8_    60     1.53233   110.92918   -91.89526
   74    73 S   HC   _H5_    61     1.09338   110.78116    66.38891
   75    67 S   CT   _C11    64     1.52883   107.53139   176.20796
   76    75 S   HC   _H17    65     1.09445   111.04763   170.71335
   77    75 S   HC   _H18    66     1.09484   111.49283    48.13678
   78    73 S   OH   _O37    62     1.42865   109.65128   -52.08451
   79    78 S   HO   _H20    63     0.97498   106.76401    68.41634
   80    75 S   OH   _O36    67     1.42599   109.05273   -70.57284
   81    80 S   HO   _H19    68     0.97237   106.78717   179.12912
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  11  11   4   1   1  13   6   9   6  12   5
   3   2   1  17   8   1   1  15   8  11   5  10   3  11   2   1
   5   4  10   7   3   2   1   1   7   3   5   3   2   1   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    48    49    54    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    46    48    49    54    55    50    40    41    42  
   38    39    45    48    49    54    40  
   36    37  
   37  
    0  
   39    43    44    45    48    49    54    47    40    41    42  
   43    44    45    46    48    50    47    52    40    41    42  
   41    42    43    48  
   42  
    0  
   44    45    46    48    49    54    50    51    47    52    53    56    73  
   45    46    48    50    47    52  
   46    48    49    54    55    50    51    47    52  
   48    49    54    50    51    47  
   52    53    56    57    58    67    73    74    78    60    48    50  
   49    54    55    50    51  
   54    55    50  
   51    54  
    0  
   53    56    57    58    59    62    67    68    73    74    78    79    75    63    60    61    65  
   56    57    58    67    73    74    78    60  
   55  
    0  
   57    58    59    62    67    73    74    78    63    64    60    61    65    66    69  
   58    59    62    73    63    60    61    65  
   59    62    67    68    73    75    63    64    60    61    65  
   62    67    63    64    60  
   61    65    66    69    70    71    72    62    63    73  
   65    66    69  
   67    68    73    74    78    75    76    77    80    63    64  
   64    67  
    0  
   66    69    70    71    72  
   69    70    71    72  
   68    73    74    78    79    75    76    77    80    81  
   73    74    78    75    76    77    80  
   70    71    72  
   71    72  
   72  
    0  
   74    78    79    75    76    77    80  
   78    79    75  
   76    77    80    81    78  
   77    80    81  
   80    81  
   79  
    0  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   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    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   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   440.000  1.360
   38    40   465.000  1.376
   39    43   320.000  1.380
   43    44   340.000  1.090
   43    45   250.000  1.527
   43    47   320.000  1.380
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   320.000  1.410
   48    49   340.000  1.090
   48    54   320.000  1.410
   54    55   553.000  0.945
   50    51   553.000  0.945
   47    52   320.000  1.410
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    73   268.000  1.529
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    60   337.000  1.449
   58    59   340.000  1.090
   58    62   320.000  1.380
   58    63   380.000  1.407
   62    67   320.000  1.410
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    75   268.000  1.529
   73    74   340.000  1.090
   73    78   320.000  1.410
   78    79   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   320.000  1.410
   80    81   553.000  0.945
   63    64   553.000  0.945
   60    61   434.000  1.010
   60    65   490.000  1.335
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   745.000  1.250
   40    42   745.000  1.250
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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    48    45    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    54    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    43    85.00000  113.97000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  137.10300
   39    43    44    35.00000  109.50000
   39    43    45    90.00000  108.56700
   39    43    47    92.60000  111.55000
   43    45    46    45.00000  108.72000
   43    45    48    75.00000  109.43000
   43    45    50    90.00000  111.58700
   43    47    52    60.00000  109.50000
   45    43    44    45.00000  112.01100
   45    48    49    37.50000  110.70000
   45    48    54    50.00000  109.50000
   45    50    51    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    45    46    37.50000  110.70000
   48    54    55    55.00000  108.50000
   54    48    49    35.00000  109.50000
   50    45    46    35.00000  109.50000
   50    45    48    50.00000  109.50000
   47    43    44    35.00000  109.50000
   47    43    45    90.00000  108.56700
   47    52    53    35.00000  109.50000
   47    52    56    50.00000  109.50000
   47    52    73    50.00000  109.50000
   52    56    57    37.50000  110.70000
   52    56    58    75.00000  109.43000
   52    56    60    70.00000  110.72300
   52    73    67    58.35000  112.70000
   52    73    74    37.50000  110.70000
   52    73    78    50.00000  109.50000
   56    52    53    37.50000  110.70000
   56    58    59    45.00000  112.01100
   56    58    62    90.00000  108.56700
   56    58    63    90.00000  110.19100
   56    60    61    38.00000  118.40000
   56    60    65    50.00000  121.90000
   58    56    57    45.00000  108.72000
   58    62    67    60.00000  109.50000
   58    63    64    70.00000  107.92000
   62    58    59    35.00000  109.50000
   62    67    68    35.00000  109.50000
   62    67    73    50.00000  109.50000
   62    67    75    50.00000  109.50000
   67    73    74    37.50000  110.70000
   67    73    78    50.00000  109.50000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    80    50.00000  109.50000
   73    52    53    37.50000  110.70000
   73    52    56    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    78    79    55.00000  108.50000
   78    73    74    35.00000  109.50000
   75    67    68    37.50000  110.70000
   75    67    73    58.35000  112.70000
   75    80    81    55.00000  108.50000
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   63    58    59    60.00000  108.02500
   63    58    62   110.00000  112.08000
   60    56    57    35.00000  109.50000
   60    56    58    70.00000  110.72300
   60    65    66    80.00000  122.90000
   60    65    69    70.00000  116.60000
   65    60    61    35.00000  119.80000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    38    39    80.00000  120.01400
   42    40    41    65.00000  121.00000
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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    54   0.56750  1.0 1.0
   29    33    48    54  -0.07550 -1.0 2.0
   29    33    48    54   0.20000  1.0 3.0
   33    38    39    43   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    54    55  -0.11600  1.0 1.0
   33    48    54    55  -0.09450 -1.0 2.0
   33    48    54    55   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    45   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    54   0.23400  1.0 3.0
   38    33    48    45   0.34400  1.0 1.0
   38    33    48    45   0.09450 -1.0 2.0
   38    33    48    45   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    54   1.05650  1.0 1.0
   38    33    48    54   0.15600 -1.0 2.0
   38    33    48    54   0.53150  1.0 3.0
   38    39    43    44   0.08050  1.0 3.0
   38    39   -43    45  -0.46850  1.0 1.0
   38    39   -43    45   0.09300 -1.0 2.0
   38    39   -43    45  -0.12850  1.0 3.0
   38    39    43    47  -0.48150  1.0 1.0
   38    39    43    47   0.09250 -1.0 2.0
   38    39    43    47  -0.12850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   39    43    45    46   0.23400  1.0 3.0
   39    43    45    48   0.62750  1.0 1.0
   39    43    45    48  -0.30950 -1.0 2.0
   39    43    45    48   0.27300  1.0 3.0
   39    43    45    50   3.69350  1.0 1.0
   39    43    45    50  -1.82950 -1.0 2.0
   39    43    47    52  -0.53350  1.0 1.0
   39    43    47    52  -0.78350 -1.0 2.0
   39    43    47    52   0.33750  1.0 3.0
   43    45   -48    33   3.97050  1.0 1.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    54   0.86500  1.0 1.0
   43    45    48    54  -0.17500 -1.0 2.0
   43    45    48    54   0.20800  1.0 3.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   43    47    52    53   0.37050  1.0 3.0
   43    47    52    56   0.06250  1.0 1.0
   43    47    52    56  -0.01100 -1.0 2.0
   43    47    52    56   0.28050  1.0 3.0
   43    47    52    73   0.06250  1.0 1.0
   43    47    52    73  -0.01100 -1.0 2.0
   43    47    52    73   0.28050  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43    47    52   0.37050  1.0 3.0
   45    43    47    52   0.06250  1.0 1.0
   45    43    47    52  -0.01100 -1.0 2.0
   45    43    47    52   0.28050  1.0 3.0
   45    48    54    55  -0.11600  1.0 1.0
   45    48    54    55  -0.09450 -1.0 2.0
   45    48    54    55   0.21250  1.0 3.0
   46    45    48    33   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    54   0.23400  1.0 3.0
   46    45    50    51   0.19450  1.0 3.0
   48    33   -38    39   0.09700  1.0 1.0
   48    33   -38    39   0.15600 -1.0 2.0
   48    33   -38    39  -0.50800  1.0 3.0
   48    33    38    40   0.09850  1.0 1.0
   48    33    38    40   0.15250 -1.0 2.0
   48    33    38    40  -0.50650  1.0 3.0
   48    45    50    51  -0.11600  1.0 1.0
   48    45    50    51  -0.09450 -1.0 2.0
   48    45    50    51   0.21250  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   50    45    48    33   0.86500  1.0 1.0
   50    45    48    33  -0.17500 -1.0 2.0
   50    45    48    33   0.20800  1.0 3.0
   50    45    48    49   0.23400  1.0 3.0
   50    45    48    54   3.75450  1.0 1.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    48   0.62750  1.0 1.0
   47    43    45    48  -0.30950 -1.0 2.0
   47    43    45    48   0.27300  1.0 3.0
   47    43    45    50   3.69350  1.0 1.0
   47    43    45    50  -1.82950 -1.0 2.0
   47    52    56    57   0.23400  1.0 3.0
   47    52    56    58   0.62750  1.0 1.0
   47    52    56    58  -0.30950 -1.0 2.0
   47    52    56    58   0.27300  1.0 3.0
   47    52    56    60   1.12100  1.0 1.0
   47    52    56    60  -0.16500 -1.0 2.0
   47    52    73    67   0.62750  1.0 1.0
   47    52    73    67  -0.30950 -1.0 2.0
   47    52    73    67   0.27300  1.0 3.0
   47    52    73    74   0.23400  1.0 3.0
   47    52    73    78   3.69350  1.0 1.0
   47    52    73    78  -1.82950 -1.0 2.0
   52    56    58    59   0.15000  1.0 3.0
   52    56    58    62   0.62750  1.0 1.0
   52    56    58    62  -0.30950 -1.0 2.0
   52    56    58    62   0.27300  1.0 3.0
   52    56    58    63   0.86500  1.0 1.0
   52    56    58    63  -0.17500 -1.0 2.0
   52    56    58    63   0.20800  1.0 3.0
   52    56    60    61   0.00000  1.0 1.0
   52    56    60    65  -0.43950  1.0 1.0
   52    56    60    65  -0.08100 -1.0 2.0
   52    56    60    65   0.03350  1.0 3.0
   52    73    78    79  -0.11600  1.0 1.0
   52    73    78    79  -0.09450 -1.0 2.0
   52    73    78    79   0.21250  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    60   0.15000  1.0 3.0
   53    52    73    67   0.15000  1.0 3.0
   53    52    73    74   0.15000  1.0 3.0
   53    52    73    78   0.23400  1.0 3.0
   56    52    73    67   0.56750  1.0 1.0
   56    52    73    67  -0.07550 -1.0 2.0
   56    52    73    67   0.20000  1.0 3.0
   56    52    73    74   0.15000  1.0 3.0
   56    52    73    78   0.86500  1.0 1.0
   56    52    73    78  -0.17500 -1.0 2.0
   56    52    73    78   0.20800  1.0 3.0
   56    58   -62    67   0.06250  1.0 1.0
   56    58   -62    67  -0.01100 -1.0 2.0
   56    58   -62    67   0.28050  1.0 3.0
   56    58    63    64  -0.11600  1.0 1.0
   56    58    63    64  -0.09450 -1.0 2.0
   56    58    63    64   0.21250  1.0 3.0
   56    60    65    66   3.04450 -1.0 2.0
   56    60    65    69   1.49850  1.0 1.0
   56    60    65    69   1.53950 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    62   0.23400  1.0 3.0
   57    56    58    63   0.23400  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    65   0.00000  1.0 1.0
   58    56    60    61   0.00000  1.0 1.0
   58    56    60    65  -0.43950  1.0 1.0
   58    56    60    65  -0.08100 -1.0 2.0
   58    56    60    65   0.03350  1.0 3.0
   58    62    67    68   0.37050  1.0 3.0
   58    62    67    73   0.06250  1.0 1.0
   58    62    67    73  -0.01100 -1.0 2.0
   58    62    67    73   0.28050  1.0 3.0
   58    62    67    75   0.06250  1.0 1.0
   58    62    67    75  -0.01100 -1.0 2.0
   58    62    67    75   0.28050  1.0 3.0
   59    58    62    67   0.37050  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   62    58    63    64  -0.50000  1.0 1.0
   62    58    63    64  -0.73950 -1.0 2.0
   62    58    63    64   0.17150  1.0 3.0
   62    67   -73    52   0.62750  1.0 1.0
   62    67   -73    52  -0.30950 -1.0 2.0
   62    67   -73    52   0.27300  1.0 3.0
   62    67    73    74   0.23400  1.0 3.0
   62    67    73    78   3.69350  1.0 1.0
   62    67    73    78  -1.82950 -1.0 2.0
   62    67    75    76   0.23400  1.0 3.0
   62    67    75    77   0.23400  1.0 3.0
   62    67    75    80   3.69350  1.0 1.0
   62    67    75    80  -1.82950 -1.0 2.0
   67    73    78    79  -0.11600  1.0 1.0
   67    73    78    79  -0.09450 -1.0 2.0
   67    73    78    79   0.21250  1.0 3.0
   67    75    80    81  -0.11600  1.0 1.0
   67    75    80    81  -0.09450 -1.0 2.0
   67    75    80    81   0.21250  1.0 3.0
   68    67    73    52   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    78   0.23400  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    80   0.23400  1.0 3.0
   73    52    56    57   0.15000  1.0 3.0
   73    52   -56    58   3.97050  1.0 1.0
   73    52    56    60  -0.27100  1.0 1.0
   73    52    56    60  -0.01700 -1.0 2.0
   73    52    56    60  -0.48600  1.0 3.0
   73    67    75    76   0.15000  1.0 3.0
   73    67    75    77   0.15000  1.0 3.0
   73    67    75    80   0.86500  1.0 1.0
   73    67    75    80  -0.17500 -1.0 2.0
   73    67    75    80   0.20800  1.0 3.0
   74    73    78    79   0.19450  1.0 3.0
   75    67    73    52   0.56750  1.0 1.0
   75    67    73    52  -0.07550 -1.0 2.0
   75    67    73    52   0.20000  1.0 3.0
   75    67    73    74   0.15000  1.0 3.0
   75    67    73    78   0.86500  1.0 1.0
   75    67    73    78  -0.17500 -1.0 2.0
   75    67    73    78   0.20800  1.0 3.0
   76    75    80    81   0.19450  1.0 3.0
   77    75    80    81   0.19450  1.0 3.0
   63    58    62    67  -0.81800  1.0 1.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    62   1.12100  1.0 1.0
   60    56    58    62  -0.16500 -1.0 2.0
   60    56    58    63   2.76900  1.0 1.0
   60    56    58    63  -0.24350 -1.0 2.0
   60    56    58    63  -0.78250  1.0 3.0
   60    65    69    70   0.00000  1.0 1.0
   60    65    69    71   0.00000  1.0 1.0
   60    65    69    72   0.00000  1.0 1.0
   61    60    65    66   2.45000 -1.0 2.0
   61    60    65    69   2.45000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   40    38    39    43  -2.26850  1.0 1.0
   40    38    39    43   3.39050 -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
   33    39    38    40   1.10000 -1.0 2.0
   61    65    60    56   1.00000 -1.0 2.0
   60    69    65    66  10.50000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
