* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    147    233     418
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02153    42.95524  -140.14107
    3     1 S   H    _H1_     3     1.02086   103.80054   -37.44956
    4     1 S   H    _H2_     4     1.02080    70.30386    67.80743
    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     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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     1.84543    97.44068  -178.13985
   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   _C7_    37     1.53545   108.56581   -60.01069
   38    33 S   CT   _C16    74     1.53989   109.21313   177.97406
   39    38 S   HC   _H31    75     1.08506   109.18019   -59.88017
   40    38 S   HC   _H32    76     1.08467   109.15462  -179.84549
   41    38 S   HC   _H33    77     1.08428   109.15544    60.11676
   42    37 S   CMA  _C6_    38     1.36241   123.52918   112.77382
   43    42 S   OM   _O20    39     1.26228   129.65802   177.28135
   44    37 S   NE   _N18    71     1.38044   115.41682   -67.90993
   45    44 S   H    _H40    72     0.98952   117.72108  -179.35776
   46    44 S   H    _H41    73     0.98881   117.81820     0.63180
   47    42 S   CM   _C4_    40     1.46103   118.38118    -2.45200
   48    47 S   CM   _C5_    41     1.34055   123.53980     7.27357
   49    47 S   CT   _C11    53     1.54680   127.96644  -171.61538
   50    49 S   HC   _H28    54     1.09809   109.39536   -54.41212
   51    33 S   CO4  _C8_    42     1.53805   105.64784    62.83052
   52    51 S   O    _O21    43     1.23039   122.38043    67.89405
   53    48 S   NE   _N17    44     1.37167   113.07939   176.39207
   54    49 S   CT   _C18    55     1.52937   112.31864    66.35919
   55    54 S   HC   _H37    56     1.08912   109.72418   159.97515
   56    54 S   HC   _H38    57     1.08827   109.79041    39.06553
   57    53 S   CT   _C10    45     1.45423   129.68775   144.67535
   58    57 S   HC   _H26    46     1.09410   110.02630   105.01232
   59    57 S   HC   _H27    47     1.09522   112.44595   -17.13898
   60    54 S   OS   _O23    58     1.41410   108.38898   -80.49619
   61    57 S   C3T  _C12    48     1.50257   103.48406  -136.67072
   62    61 S   HC   _H29    49     1.07774   116.85904  -145.76440
   63    60 S   CO4  _C9_    59     1.37187   116.40484  -179.97202
   64    63 S   O    _O22    60     1.22678   124.62114    -0.02798
   65    61 S   C3T  _C13    50     1.49848   109.51086    -3.58785
   66    65 S   HC   _H30    51     1.07884   120.30227  -141.83384
   67    63 S   N    _N19    61     1.37274   111.09249   179.97202
   68    67 S   H    _H42    62     1.01486   119.27080   180.00000
   69    67 S   H    _H43    63     1.01408   121.35491    -0.00000
   70    53 S   CO   _C15    52     1.46972   110.61961    -5.01278
   71    61 S   NTH  _N16    69     1.45173   119.19143    61.44757
   72    71 S   H    _H39    70     1.01847   110.08913     7.59667
   73    70 S   OS   _O24    64     1.42810   109.80416  -104.07183
   74    73 S   CT   _C17    65     1.41884   111.28442   -47.42149
   75    74 S   HC   _H34    66     1.09292   109.50531   180.00000
   76    74 S   HC   _H35    67     1.09315   109.55777    59.18682
   77    74 S   HC   _H36    68     1.09323   108.96807   -60.44583
  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  11   5   4   3
  15   2   1   1  14   8   3   2   1  12   4   4   1   1  14  13
  16   8   4   1  12   9   4   3  10   6   5   6   7   5   4   3
   6   4   2   1   1   7   2   1   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    51    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    48    51    52    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    51    52    53    44    45    46    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    51    52    49    44    45    46    38    39    40    41  
   39    40    41    42    44    48    51    52  
   40    41    51  
   41    51  
   51  
   43    47    48    51    53    70    49    50    54    44    45    46  
   47    48    49    44  
   45    46    47    51  
   46  
    0  
   48    51    52    53    57    65    70    49    50    54    55    56    60    73  
   51    52    53    57    58    59    61    65    70    49    50    54    73  
   50    54    55    56    60    63    73    74    71    51    53    57    61    65    66    70  
   54    55    56    60    73    53    65    70  
   52    53    57    70  
   53  
   57    58    59    61    62    65    66    70    54    73    74    71  
   55    56    60    63    64    67    73    65    70  
   56    60    63    70  
   60    63    70  
   58    59    61    62    65    66    70    73    71    72  
   59    61    62    65    70    71  
   61    62    65    70    71  
   63    64    67    68    69    70  
   62    65    66    70    73    71    72  
   65    66    70    71    72  
   64    67    68    69  
   67    68    69  
   66    70    73    74    71    72  
   70    73    71    72  
   68    69  
   69  
    0  
   73    74    75    76    77    71    72  
   72    73  
    0  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.167500   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  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   65   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   71   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   72   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   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    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    51   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   425.000  1.378
   42    43   745.000  1.250
   42    47   465.000  1.376
   47    48   549.000  1.340
   47    49   317.000  1.510
   48    51   320.000  1.462
   48    53   425.000  1.378
   51    52   570.000  1.229
   53    57   382.000  1.448
   53    70   320.000  1.442
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   275.000  1.510
   61    62   340.000  1.088
   61    65   260.000  1.509
   61    71   315.000  1.448
   65    66   340.000  1.088
   65    70   275.000  1.510
   65    71   315.000  1.448
   70    49   250.000  1.527
   70    73   320.000  1.380
   49    50   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   320.000  1.410
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    67   435.000  1.380
   67    68   434.000  1.010
   67    69   434.000  1.010
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   71    72   500.000  1.015
   44    45   434.000  1.010
   44    46   434.000  1.010
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    51    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    75.00000  116.24600
   33    51    48    65.00000  118.62400
   33    51    52    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    70.00000  123.01800
   37    44    45    35.00000  114.50000
   37    44    46    35.00000  114.50000
   42    47    48    70.00000  117.34000
   42    47    49    70.00000  124.00000
   47    42    43    65.00000  137.10300
   47    48    51    65.00000  118.96000
   47    48    53    70.00000  124.03900
   47    49    70    70.00000  112.02700
   47    49    50    35.00000  109.50000
   47    49    54    70.00000  112.02700
   48    51    52    80.00000  123.72100
   48    53    57    50.00000  121.00000
   48    53    70    50.00000  121.00000
   51    33    37    70.00000  109.06800
   53    48    51    70.00000  117.92000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    61    80.00000  111.61500
   53    70    65    85.00000  109.98000
   53    70    49    85.00000  109.98000
   53    70    73    95.00000  112.71300
   57    61    62    40.00000  115.04500
   57    61    65    60.00000  120.94000
   57    61    71    80.00000  111.29100
   59    57    58    33.00000  107.80000
   61    57    58    45.00000  109.38400
   61    57    59    45.00000  109.38400
   61    65    66    37.50000  117.20000
   61    65    70    60.00000  120.94000
   61    65    71    30.00000   60.00000
   61    71    65    10.00000   60.00000
   61    71    72    50.00000  109.23200
   65    61    62    37.50000  117.20000
   65    70    49    65.00000  112.71400
   65    70    73    90.00000  108.56700
   65    71    72    50.00000  109.23200
   70    53    57    50.00000  115.00000
   70    65    66    40.00000  115.04500
   70    49    50    45.00000  108.72000
   70    49    54    75.00000  109.43000
   70    73    74    60.00000  109.50000
   49    47    48    70.00000  124.00000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    60    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    60    63    83.00000  116.90000
   56    54    55    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    56    35.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    67   110.00000  108.75700
   63    67    68    50.00000  116.34900
   63    67    69    50.00000  116.34900
   67    63    64    85.00000  125.96000
   69    67    68    35.00000  120.00000
   73    70    49    90.00000  108.56700
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    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
   71    61    62    50.00000  110.59500
   71    61    65    30.00000   60.00000
   71    65    66    50.00000  110.59500
   71    65    70    80.00000  104.84000
   44    37    42    70.00000  124.03900
   46    44    45    35.00000  109.00000
   38    33    37    70.00000  112.02700
   38    33    51    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    51    48   0.65300  1.0 1.0
   29    33    51    48  -0.03850 -1.0 2.0
   29    33    51    48   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   2.40850 -1.0 2.0
   33    37    44    46   2.40850 -1.0 2.0
   37    33    51    48   0.65300  1.0 1.0
   37    33    51    48  -0.03850 -1.0 2.0
   37    33    51    48   0.33900  1.0 3.0
   37    33    51    52   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -47    48   7.00000 -1.0 2.0
   37    42    47    49   7.00000 -1.0 2.0
   42    37    44    45   1.00000 -1.0 2.0
   42    37    44    46   1.00000 -1.0 2.0
   42    47    48    51   7.00000 -1.0 2.0
   42    47    48    53   7.00000 -1.0 2.0
   42    47    49    70   0.09850  1.0 1.0
   42    47    49    70   0.15250 -1.0 2.0
   42    47    49    70  -0.50650  1.0 3.0
   42    47    49    50   0.00000  1.0 1.0
   42    47    49    54   0.09850  1.0 1.0
   42    47    49    54   0.15250 -1.0 2.0
   42    47    49    54  -0.50650  1.0 3.0
   43    42    47    48   7.00000 -1.0 2.0
   43    42    47    49   7.00000 -1.0 2.0
   47    48   -51    33  -0.33500  1.0 1.0
   47    48   -51    33   1.06600 -1.0 2.0
   47    48   -51    33  -0.14000  1.0 3.0
   47    48    51    52   1.00000 -1.0 2.0
   47    48    53    57  -0.54700  1.0 1.0
   47    48    53    57   1.23000 -1.0 2.0
   47    48   -53    70  -0.54700  1.0 1.0
   47    48   -53    70   1.23000 -1.0 2.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49    54    60   0.61850  1.0 1.0
   47    49    54    60  -0.22750 -1.0 2.0
   47    49    54    60   0.15300  1.0 3.0
   48    47   -49    70   0.09850  1.0 1.0
   48    47   -49    70   0.15250 -1.0 2.0
   48    47   -49    70  -0.50650  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    54   0.09850  1.0 1.0
   48    47    49    54   0.15250 -1.0 2.0
   48    47    49    54  -0.50650  1.0 3.0
   48    53    57    58   0.00000  1.0 1.0
   48    53    57    59   0.00000  1.0 1.0
   48    53    57    61   0.25450  1.0 1.0
   48    53    57    61  -0.61700 -1.0 2.0
   48    53    57    61  -0.23550  1.0 3.0
   48    53    70    65   0.25450  1.0 1.0
   48    53    70    65  -0.61700 -1.0 2.0
   48    53    70    65  -0.23550  1.0 3.0
   48    53   -70    49   0.25450  1.0 1.0
   48    53   -70    49  -0.61700 -1.0 2.0
   48    53   -70    49  -0.23550  1.0 3.0
   48    53    70    73   0.75000  1.0 1.0
   48    53    70    73  -0.75000 -1.0 2.0
   51    33   -37    42  -0.51250  1.0 1.0
   51    33   -37    42  -0.88800 -1.0 2.0
   51    33   -37    42   0.08850  1.0 3.0
   51    33    37    44   0.09700  1.0 1.0
   51    33    37    44   0.15600 -1.0 2.0
   51    33    37    44  -0.50800  1.0 3.0
   51    33    38    39  -0.11250  1.0 3.0
   51    33    38    40  -0.11250  1.0 3.0
   51    33    38    41  -0.11250  1.0 3.0
   51    48    53    57   1.00000 -1.0 2.0
   51    48    53    70   1.00000 -1.0 2.0
   53    48    51    33   1.50000 -1.0 2.0
   53    48    51    52  -0.52200  1.0 1.0
   53    48    51    52   0.82950 -1.0 2.0
   53    57    61    62   0.22950  1.0 3.0
   53    57   -61    65   1.26750  1.0 1.0
   53    57   -61    65  -0.00950 -1.0 2.0
   53    57   -61    65   0.30600  1.0 3.0
   53    57    61    71   4.29400  1.0 1.0
   53    57    61    71   0.12050 -1.0 2.0
   53    70   -49    47   0.21700  1.0 1.0
   53    70   -49    47   0.68550 -1.0 2.0
   53    70   -49    47  -0.27950  1.0 3.0
   53    70    49    50   0.22950  1.0 3.0
   53    70    49    54   1.26750  1.0 1.0
   53    70    49    54  -0.00950 -1.0 2.0
   53    70    49    54   0.30600  1.0 3.0
   53    70    73    74  -0.25000  1.0 1.0
   53    70    73    74  -0.75000 -1.0 2.0
   53    70    73    74   0.50000  1.0 3.0
   57    53   -70    65   0.00000  1.0 1.0
   57    53    70    49   0.00000  1.0 1.0
   57    53    70    73   0.00000  1.0 1.0
   57    61    65    66   0.15000  1.0 3.0
   57    61   -65    70   3.97050  1.0 1.0
   57    61   -65    71   1.53400  1.0 1.0
   57    61   -65    71  -0.09950 -1.0 2.0
   57    61   -65    71   0.05700  1.0 3.0
   57    61   -71    65  -0.35450  1.0 1.0
   57    61   -71    65   0.44050 -1.0 2.0
   57    61   -71    65   0.77100  1.0 3.0
   57    61    71    72   0.03200  1.0 1.0
   57    61    71    72   0.33800 -1.0 2.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    65   0.15000  1.0 3.0
   58    57    61    71   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    65   0.15000  1.0 3.0
   59    57    61    71   0.15000  1.0 3.0
   61    65   -70    53   1.26750  1.0 1.0
   61    65   -70    53  -0.00950 -1.0 2.0
   61    65   -70    53   0.30600  1.0 3.0
   61    65    70    49   0.07850  1.0 1.0
   61    65    70    49  -0.03950 -1.0 2.0
   61    65    70    49   0.67350  1.0 3.0
   61    65    70    73  -0.26800  1.0 1.0
   61    65    70    73   0.69150 -1.0 2.0
   61    65    70    73  -0.48750  1.0 3.0
   61    65   -71    72   0.03200  1.0 1.0
   61    65   -71    72   0.33800 -1.0 2.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    70   0.15000  1.0 3.0
   62    61   -65    71   0.15000  1.0 3.0
   62    61   -71    65   0.28000  1.0 3.0
   62    61    71    72   0.20000  1.0 3.0
   65    61   -71    72   0.03200  1.0 1.0
   65    61   -71    72   0.33800 -1.0 2.0
   65    70    49    47   0.34400  1.0 1.0
   65    70    49    47   0.09450 -1.0 2.0
   65    70    49    47   0.11100  1.0 3.0
   65    70    49    50   0.15000  1.0 3.0
   65    70    49    54   0.47050  1.0 1.0
   65    70    49    54   0.03900 -1.0 2.0
   65    70    49    54   0.20100  1.0 3.0
   65    70    73    74   0.06250  1.0 1.0
   65    70    73    74  -0.01100 -1.0 2.0
   65    70    73    74   0.28050  1.0 3.0
   66    65    70    53   0.22950  1.0 3.0
   66    65    70    49   0.15000  1.0 3.0
   66    65    70    73   0.23400  1.0 3.0
   66    65   -71    61   0.28000  1.0 3.0
   66    65    71    72   0.20000  1.0 3.0
   70    53    57    58   0.00000  1.0 1.0
   70    53    57    59   0.00000  1.0 1.0
   70    53   -57    61   0.00000  1.0 1.0
   70    65   -71    61  -0.35450  1.0 1.0
   70    65   -71    61   0.44050 -1.0 2.0
   70    65   -71    61   0.77100  1.0 3.0
   70    65    71    72   0.03200  1.0 1.0
   70    65    71    72   0.33800 -1.0 2.0
   70    49    54    55   0.15000  1.0 3.0
   70    49    54    56   0.15000  1.0 3.0
   70    49    54    60   0.62750  1.0 1.0
   70    49    54    60  -0.30950 -1.0 2.0
   70    49    54    60   0.27300  1.0 3.0
   70    73    74    75   0.37050  1.0 3.0
   70    73    74    76   0.37050  1.0 3.0
   70    73    74    77   0.37050  1.0 3.0
   49    47    48    51   7.00000 -1.0 2.0
   49    47   -48    53   7.00000 -1.0 2.0
   49    70    73    74   0.06250  1.0 1.0
   49    70    73    74  -0.01100 -1.0 2.0
   49    70    73    74   0.28050  1.0 3.0
   49    54    60    63  -0.25900  1.0 1.0
   49    54    60    63  -0.47000 -1.0 2.0
   49    54    60    63   0.11750  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    60   0.23400  1.0 3.0
   54    60    63    64   3.00000 -1.0 2.0
   54    60    63    67  -0.80800  1.0 1.0
   54    60    63    67   2.06850 -1.0 2.0
   55    54    60    63   0.08050  1.0 3.0
   56    54    60    63   0.08050  1.0 3.0
   60    63    67    68   2.56700 -1.0 2.0
   60    63    67    69   2.56700 -1.0 2.0
   64    63    67    68   2.45000 -1.0 2.0
   64    63    67    69   2.45000 -1.0 2.0
   73    70    49    47   0.61850  1.0 1.0
   73    70    49    47  -0.22750 -1.0 2.0
   73    70    49    47   0.15300  1.0 3.0
   73    70    49    50   0.23400  1.0 3.0
   73    70    49    54   0.62750  1.0 1.0
   73    70    49    54  -0.30950 -1.0 2.0
   73    70    49    54   0.27300  1.0 3.0
   71    61   -65    66   0.15000  1.0 3.0
   71    61   -65    70   1.53400  1.0 1.0
   71    61   -65    70  -0.09950 -1.0 2.0
   71    61   -65    70   0.05700  1.0 3.0
   71    65   -70    53   4.29400  1.0 1.0
   71    65   -70    53   0.12050 -1.0 2.0
   71    65    70    49   1.53400  1.0 1.0
   71    65    70    49  -0.09950 -1.0 2.0
   71    65    70    49   0.05700  1.0 3.0
   71    65    70    73   2.01850  1.0 1.0
   71    65    70    73  -0.32950 -1.0 2.0
   71    65    70    73  -0.50350  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44  -0.93550  1.0 1.0
   38    33    37    44   0.38900 -1.0 2.0
   38    33    37    44   0.16950  1.0 3.0
   38    33    51    48   0.65300  1.0 1.0
   38    33    51    48  -0.03850 -1.0 2.0
   38    33    51    48   0.33900  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
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    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   42    49    47    48   1.10000 -1.0 2.0
   51    53    48    47   1.10000 -1.0 2.0
   33    48    51    52  10.50000 -1.0 2.0
   70    48    53    57   1.00000 -1.0 2.0
   60    67    63    64  10.50000 -1.0 2.0
   69    63    67    68   1.00000 -1.0 2.0
   46    37    44    45   1.00000 -1.0 2.0
END
