* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    231     437
    1     0 S   NP   _N1_     1    28.74235    96.95618   -23.47352
    2     1 S   H    _HN1     2     1.02827    42.02827   171.56029
    3     1 S   H    _H1_     3     1.02786   104.34137   -87.47975
    4     1 S   H    _H2_     4     1.02949    68.70941    16.96686
    5     1 S   CT   _CA1     5     1.50118   140.95937   113.46622
    6     5 S   HC   _HA1     6     1.09574   105.18631    96.67220
    7     5 S   CO3  _C1_     7     1.53787   112.46511   -23.54744
    8     7 S   O2Z  _O11     8     1.26374   115.00508   -42.38282
    9     7 S   O2Z  _O12     9     1.26241   114.94662   136.71188
   10     5 S   CT   _CB1    10     1.53073   107.41120  -145.35295
   11    10 S   HC   HB11    11     1.09834   109.36017   -49.65787
   12    10 S   HC   HB12    12     1.09812   110.45457    66.94973
   13    10 S   CT   _CG1    13     1.52988   112.61005  -170.63091
   14    13 S   HC   HG11    14     1.09582   110.63922   -65.96903
   15    13 S   HC   HG12    15     1.09671   109.77930    53.26477
   16    13 S   C    _CD1    16     1.51800   112.20364   173.71079
   17    16 S   O    _OE1    17     1.22732   123.28366     7.40255
   18    16 S   N    _N2_    18     1.38639   111.67685  -172.63803
   19    18 S   H    _HN2    19     1.01577   118.93155     1.55884
   20    18 S   CT1  _CA2    20     1.46218   123.43635   177.62134
   21    20 S   HC   _HA2    21     1.09736   109.38405     4.47833
   22    20 S   C    _C2_    22     1.53582   108.62286  -111.07394
   23    22 S   O    _O2_    23     1.23068   122.27098  -147.48580
   24    20 S   CT   _CB2    32     1.53446   111.51126   126.54232
   25    24 S   HC   HB21    33     1.09426   109.53876    56.65500
   26    24 S   HC   HB22    34     1.09414   109.79735   175.53700
   27    22 S   N    _N3_    24     1.38325   113.75454    39.92833
   28    27 S   H    _HN3    25     1.01574   119.60472    -3.16391
   29    24 S   S    _SG2    35     1.82840   111.16987   -64.77120
   30    27 S   CT   _CA3    26     1.45285   123.21578   177.19181
   31    30 S   HC   HA31    27     1.09549   107.50275   -64.84530
   32    30 S   HC   HA32    28     1.09557   107.99400    51.59378
   33    29 S   CT   _C9_    36     1.85634   101.58754   172.21457
   34    30 S   CO3  _C3_    29     1.52961   114.08610   173.60671
   35    34 S   O2Z  _O31    30     1.26375   116.08068    -0.41307
   36    34 S   O2Z  _O32    31     1.26429   114.40868   179.64392
   37    33 S   CT   _C10    37     1.57291   109.54533  -172.46831
   38    37 S   HC   _H4_    38     1.09983   108.60659    36.18783
   39    33 S   CT   _C20    75     1.54442   109.07630    62.65270
   40    39 S   HC   _H20    76     1.09567   111.46252   -72.19968
   41    39 S   HC   _H21    77     1.09531   111.90121   168.84470
   42    39 S   HC   _H22    78     1.09487   112.52118    48.38506
   43    37 S   CM   _C6_    39     1.52920   103.42482   149.88606
   44    37 S   CT   _C11    52     1.54021   115.24878   -86.96434
   45    44 S   HC   _H5_    53     1.10081   109.10327   -69.90390
   46    43 S   CM   _C5_    40     1.34886   126.22482   176.74887
   47    43 S   CT   _C7_    68     1.51355   109.72425    -7.82800
   48    47 S   HC   _H11    69     1.09500   109.79658   100.48440
   49    47 S   HC   _H12    70     1.09455   112.14174  -137.52067
   50    46 S   CT   _C14    41     1.50914   123.14679     6.00218
   51    50 S   HC   _H13    42     1.09942   108.78020    62.55297
   52    50 S   HC   _H14    43     1.09865   108.66209   174.29181
   53    46 S   CT   _C4_    64     1.50868   122.93904  -178.16923
   54    53 S   HC   _H8_    65     1.09571   109.90936   129.31423
   55    53 S   HC   _H9_    66     1.09311   113.46010    10.14540
   56    53 S   HC   _H10    67     1.09484   110.19700  -111.18621
   57    33 S   CT   _C8_    71     1.54557   112.67112   -59.45752
   58    57 S   HC   _H3_    72     1.09502   113.19896    79.82846
   59    50 S   CT   _C13    44     1.53590   117.04062   -62.42682
   60    59 S   HC   _H7_    45     1.09776   111.26259   -48.89847
   61    57 S   OH   _O37    73     1.42792   111.97697   -42.63235
   62    61 S   HO   _H23    74     0.97235   107.63331  -177.22463
   63    59 S   CT   _C12    46     1.53335   111.67496    74.75081
   64    63 S   HC   _H6_    47     1.10032   109.06036    56.95993
   65    59 S   OS   _O33    57     1.45235   106.23414  -168.44277
   66    63 S   CM   _C17    48     1.49967   118.71372   178.19995
   67    65 S   CO4  _C15    58     1.36371   117.37979    86.80278
   68    67 S   O    _O34    59     1.22304   126.36325    -0.10468
   69    66 S   CO4  _C19    49     1.48140   107.07103   155.33099
   70    69 S   O    _O35    50     1.21675   127.48686   164.81839
   71    66 S   CM   _C18    54     1.33553   132.44368   -21.86415
   72    71 S   HC   _H18    55     1.08250   122.06828    -1.47552
   73    71 S   HC   _H19    56     1.08584   121.39737   178.45871
   74    67 S   CT   _C16    60     1.49829   109.49883   179.95154
   75    74 S   HC   _H15    61     1.09290   109.83600   -60.77974
   76    74 S   HC   _H16    62     1.09377   109.35879  -179.81233
   77    74 S   HC   _H17    63     1.09287   109.82207    61.13283
   78    69 S   OS   _O36    51     1.36376   106.30273   -13.98716
  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  13   5   4   3
  19   2   1   1  23   9   9   3   2   1  19  15   6  15   8   4
   3  13   6   5   4   2   1   1   3   2  11   5   1   1  10   5
   7   6   5   4   5   2   3   1   1   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    57    58    61    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    63    78    44    45    47    48    49    57    58    61    62    39    40    41    42  
   35    36  
   36  
    0  
   38    43    46    50    59    63    64    66    69    78    44    45    53    47    48    49    57    58    61    39    40    41    42  
   43    46    63    78    44    45    47    57    39  
   40    41    42    43    44    47    57    58    61  
   41    42    57  
   42    57  
   57  
   46    50    51    52    59    63    78    44    45    53    54    55    56    47    48    49    57    58    61  
   45    71    65    47    57    46    50    59    60    63    64    66    69    70    78  
   59    63    64    66    69    78  
   50    51    52    59    60    63    65    53    54    55    56    47    48    49    57  
   48    49    57    58    61    62    50    53  
   49    57    58    61  
   57    58    61  
   51    52    59    60    63    64    66    65    67    53    54    55    56  
   52    59    60    63    65    53  
   59    60    63    65    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58    61    62  
   61    62  
   60    63    64    66    69    78    71    65    67    68    74  
   63    64    66    65    67  
   62  
    0  
   64    66    69    70    78    71    72    73    65    67  
   66    69    78    71    65  
   67    68    74    75    76    77    66  
   69    70    78    71    72    73  
   68    74    75    76    77  
   74    75    76    77  
   70    78    71    72    73  
   78    71  
   72    73    78  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.510
   37    44   268.000  1.529
   43    46   549.000  1.340
   43    47   317.000  1.510
   46    50   317.000  1.510
   46    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   320.000  1.410
   63    64   340.000  1.090
   63    66   317.000  1.510
   63    44   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    78   214.000  1.327
   78    44   320.000  1.410
   44    45   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   340.000  1.090
   57    61   320.000  1.410
   61    62   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    70.00000  112.02700
   33    37    44    58.35000  112.70000
   33    57    47    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    46    70.00000  124.00000
   37    43    47    65.00000  117.92700
   37    44    63    58.35000  112.70000
   37    44    78    50.00000  109.50000
   37    44    45    37.50000  110.70000
   43    37    38    35.00000  109.50000
   43    46    50    70.00000  124.00000
   43    46    53    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    57    70.00000  112.02700
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    59    70.00000  112.02700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    56    35.00000  109.50000
   50    59    60    37.50000  110.70000
   50    59    63    58.35000  112.70000
   50    59    65    50.00000  109.50000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    66    70.00000  112.02700
   59    63    44    58.35000  112.70000
   59    65    67    83.00000  116.90000
   63    59    60    37.50000  110.70000
   63    66    69    65.00000  116.34900
   63    66    71    70.00000  124.00000
   63    44    78    50.00000  109.50000
   63    44    45    37.50000  110.70000
   66    63    64    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    78    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   69    78    44    83.00000  116.90000
   78    69    70    83.00000  123.40000
   78    44    45    35.00000  109.50000
   44    37    38    37.50000  110.70000
   44    37    43    70.00000  112.02700
   44    63    64    37.50000  110.70000
   44    63    66    70.00000  112.02700
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   65    59    60    35.00000  109.50000
   65    59    63    50.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    74    81.00000  111.40000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   74    67    68    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   53    46    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    43    46    70.00000  124.00000
   47    57    58    37.50000  110.70000
   47    57    61    50.00000  109.50000
   49    47    48    33.00000  107.80000
   57    33    37    58.35000  112.70000
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   57    61    62    55.00000  108.50000
   61    57    58    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    57    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    57    47   0.44750  1.0 1.0
   29    33    57    47  -0.17800 -1.0 2.0
   29    33    57    47   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.56750  1.0 1.0
   29    33    57    61  -0.07550 -1.0 2.0
   29    33    57    61   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    46   0.09850  1.0 1.0
   33    37    43    46   0.15250 -1.0 2.0
   33    37    43    46  -0.50650  1.0 3.0
   33    37   -43    47   0.46850  1.0 1.0
   33    37   -43    47   0.08550 -1.0 2.0
   33    37   -43    47   0.09800  1.0 3.0
   33    37    44    63   0.56750  1.0 1.0
   33    37    44    63  -0.07550 -1.0 2.0
   33    37    44    63   0.20000  1.0 3.0
   33    37    44    78   0.62750  1.0 1.0
   33    37    44    78  -0.30950 -1.0 2.0
   33    37    44    78   0.27300  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    57    61    62  -0.11600  1.0 1.0
   33    57    61    62  -0.09450 -1.0 2.0
   33    57    61    62   0.21250  1.0 3.0
   37    33   -57    47   0.56750  1.0 1.0
   37    33   -57    47  -0.07550 -1.0 2.0
   37    33   -57    47   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61   0.86500  1.0 1.0
   37    33    57    61  -0.17500 -1.0 2.0
   37    33    57    61   0.20800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    50   7.00000 -1.0 2.0
   37    43    46    53   7.00000 -1.0 2.0
   37    43    47    48   0.34800  1.0 3.0
   37    43    47    49   0.34800  1.0 3.0
   37    43   -47    57   0.46850  1.0 1.0
   37    43   -47    57   0.08550 -1.0 2.0
   37    43   -47    57   0.09800  1.0 3.0
   38    37    43    46   0.00000  1.0 1.0
   38    37    43    47   0.34800  1.0 3.0
   38    37    44    63   0.15000  1.0 3.0
   38    37    44    78   0.23400  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   43    37    44    63   0.34400  1.0 1.0
   43    37    44    63   0.09450 -1.0 2.0
   43    37    44    63   0.11100  1.0 3.0
   43    37    44    78   0.61850  1.0 1.0
   43    37    44    78  -0.22750 -1.0 2.0
   43    37    44    78   0.15300  1.0 3.0
   43    37    44    45   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    59   0.09850  1.0 1.0
   43    46    50    59   0.15250 -1.0 2.0
   43    46    50    59  -0.50650  1.0 3.0
   43    46    53    54   0.00000  1.0 1.0
   43    46    53    55   0.00000  1.0 1.0
   43    46    53    56   0.00000  1.0 1.0
   43    47   -57    33   0.34400  1.0 1.0
   43    47   -57    33   0.09450 -1.0 2.0
   43    47   -57    33   0.11100  1.0 3.0
   43    47    57    58   0.15000  1.0 3.0
   43    47    57    61   1.05650  1.0 1.0
   43    47    57    61   0.15600 -1.0 2.0
   43    47    57    61   0.53150  1.0 3.0
   46    43    47    48   0.00000  1.0 1.0
   46    43    47    49   0.00000  1.0 1.0
   46    43    47    57   0.09850  1.0 1.0
   46    43    47    57   0.15250 -1.0 2.0
   46    43    47    57  -0.50650  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    63   0.34400  1.0 1.0
   46    50    59    63   0.09450 -1.0 2.0
   46    50    59    63   0.11100  1.0 3.0
   46    50    59    65   0.61850  1.0 1.0
   46    50    59    65  -0.22750 -1.0 2.0
   46    50    59    65   0.15300  1.0 3.0
   50    46    53    54   0.34800  1.0 3.0
   50    46    53    55   0.34800  1.0 3.0
   50    46    53    56   0.34800  1.0 3.0
   50    59    63    64   0.15000  1.0 3.0
   50    59    63    66   0.34400  1.0 1.0
   50    59    63    66   0.09450 -1.0 2.0
   50    59    63    66   0.11100  1.0 3.0
   50    59    63    44   0.56750  1.0 1.0
   50    59    63    44  -0.07550 -1.0 2.0
   50    59    63    44   0.20000  1.0 3.0
   50    59    65    67  -0.25900  1.0 1.0
   50    59    65    67  -0.47000 -1.0 2.0
   50    59    65    67   0.11750  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    63   0.15000  1.0 3.0
   51    50    59    65   0.23400  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    63   0.15000  1.0 3.0
   52    50    59    65   0.23400  1.0 3.0
   59    63    66    69   0.09700  1.0 1.0
   59    63    66    69   0.15600 -1.0 2.0
   59    63    66    69  -0.50800  1.0 3.0
   59    63    66    71   0.09850  1.0 1.0
   59    63    66    71   0.15250 -1.0 2.0
   59    63    66    71  -0.50650  1.0 3.0
   59    63    44    37   0.56750  1.0 1.0
   59    63    44    37  -0.07550 -1.0 2.0
   59    63    44    37   0.20000  1.0 3.0
   59    63    44    78   0.62750  1.0 1.0
   59    63    44    78  -0.30950 -1.0 2.0
   59    63    44    78   0.27300  1.0 3.0
   59    63    44    45   0.15000  1.0 3.0
   59    65    67    68   3.00000 -1.0 2.0
   59    65    67    74   1.63150  1.0 1.0
   59    65    67    74   2.92000 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    44   0.15000  1.0 3.0
   60    59    65    67   0.08050  1.0 3.0
   63    59    65    67  -0.25900  1.0 1.0
   63    59    65    67  -0.47000 -1.0 2.0
   63    59    65    67   0.11750  1.0 3.0
   63    66    69    70  -0.64400  1.0 1.0
   63    66    69    70   0.26850 -1.0 2.0
   63    66   -69    78  -0.15000  1.0 1.0
   63    66   -69    78   0.89550 -1.0 2.0
   63    66   -69    78  -0.06900  1.0 3.0
   63    66    71    72   7.00000 -1.0 2.0
   63    66    71    73   7.00000 -1.0 2.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.00000  1.0 1.0
   64    63    44    37   0.15000  1.0 3.0
   64    63    44    78   0.23400  1.0 3.0
   64    63    44    45   0.15000  1.0 3.0
   66    63    44    37   0.34400  1.0 1.0
   66    63    44    37   0.09450 -1.0 2.0
   66    63    44    37   0.11100  1.0 3.0
   66    63   -44    78   0.61850  1.0 1.0
   66    63   -44    78  -0.22750 -1.0 2.0
   66    63   -44    78   0.15300  1.0 3.0
   66    63    44    45   0.15000  1.0 3.0
   66    69   -78    44   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   69    78    44    37  -0.25900  1.0 1.0
   69    78    44    37  -0.47000 -1.0 2.0
   69    78    44    37   0.11750  1.0 3.0
   69    78   -44    63  -0.25900  1.0 1.0
   69    78   -44    63  -0.47000 -1.0 2.0
   69    78   -44    63   0.11750  1.0 3.0
   69    78    44    45   0.08050  1.0 3.0
   70    69    78    44   3.00000 -1.0 2.0
   44    37    43    46   0.09850  1.0 1.0
   44    37    43    46   0.15250 -1.0 2.0
   44    37    43    46  -0.50650  1.0 3.0
   44    37    43    47   0.46850  1.0 1.0
   44    37    43    47   0.08550 -1.0 2.0
   44    37    43    47   0.09800  1.0 3.0
   44    63   -66    69   0.09700  1.0 1.0
   44    63   -66    69   0.15600 -1.0 2.0
   44    63   -66    69  -0.50800  1.0 3.0
   44    63    66    71   0.09850  1.0 1.0
   44    63    66    71   0.15250 -1.0 2.0
   44    63    66    71  -0.50650  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    78  -0.56150  1.0 1.0
   71    66    69    78   2.19150 -1.0 2.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    66   0.61850  1.0 1.0
   65    59    63    66  -0.22750 -1.0 2.0
   65    59    63    66   0.15300  1.0 3.0
   65    59    63    44   0.62750  1.0 1.0
   65    59    63    44  -0.30950 -1.0 2.0
   65    59    63    44   0.27300  1.0 3.0
   65    67    74    75   0.00000  1.0 1.0
   65    67    74    76   0.00000  1.0 1.0
   65    67    74    77   0.00000  1.0 1.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    74    76   0.00000  1.0 1.0
   68    67    74    77   0.00000  1.0 1.0
   53    46    50    51   0.34800  1.0 3.0
   53    46    50    52   0.34800  1.0 3.0
   53    46    50    59   0.46850  1.0 1.0
   53    46    50    59   0.08550 -1.0 2.0
   53    46    50    59   0.09800  1.0 3.0
   47    43    46    50   7.00000 -1.0 2.0
   47    43    46    53   7.00000 -1.0 2.0
   47    57    61    62  -0.11600  1.0 1.0
   47    57    61    62  -0.09450 -1.0 2.0
   47    57    61    62   0.21250  1.0 3.0
   48    47    57    33   0.15000  1.0 3.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    61   0.23400  1.0 3.0
   49    47    57    33   0.15000  1.0 3.0
   49    47    57    58   0.15000  1.0 3.0
   49    47    57    61   0.23400  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    43   0.34400  1.0 1.0
   57    33   -37    43   0.09450 -1.0 2.0
   57    33   -37    43   0.11100  1.0 3.0
   57    33    37    44   0.56750  1.0 1.0
   57    33    37    44  -0.07550 -1.0 2.0
   57    33    37    44   0.20000  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    42   0.15000  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    57    47   0.56750  1.0 1.0
   39    33    57    47  -0.07550 -1.0 2.0
   39    33    57    47   0.20000  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    61   0.86500  1.0 1.0
   39    33    57    61  -0.17500 -1.0 2.0
   39    33    57    61   0.20800  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    43    46   1.10000 -1.0 2.0
   50    53    46    43   1.10000 -1.0 2.0
   63    69    66    71   1.10000 -1.0 2.0
   66    78    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
   65    74    67    68  10.50000 -1.0 2.0
END
