* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    152    234     443
    1     0 S   NP   _N1_     1    28.71078    94.34523   -21.19650
    2     1 S   H    _HN1     2     1.02777    89.24886   -81.47182
    3     1 S   H    _H1_     3     1.02962    92.53189    26.83653
    4     1 S   H    _H2_     4     1.02837    29.42323   148.08750
    5     1 S   CT   _CA1     5     1.50103   140.08576   153.47275
    6     5 S   HC   _HA1     6     1.09567   105.29270    56.38507
    7     5 S   CO3  _C1_     7     1.53846   112.32791   -63.98630
    8     7 S   O2Z  _O11     8     1.26363   114.99891   -44.46915
    9     7 S   O2Z  _O12     9     1.26234   114.93014   134.77231
   10     5 S   CT   _CB1    10     1.53088   107.44304   174.42803
   11    10 S   HC   HB11    11     1.09822   109.56732   -49.87754
   12    10 S   HC   HB12    12     1.09811   110.28909    66.67399
   13    10 S   CT   _CG1    13     1.53002   112.61206  -170.91042
   14    13 S   HC   HG11    14     1.09580   110.46351   -59.56816
   15    13 S   HC   HG12    15     1.09633   110.04533    59.63201
   16    13 S   C    _CD1    16     1.51785   112.26316  -179.85196
   17    16 S   O    _OE1    17     1.22714   123.25538    -5.02843
   18    16 S   N    _N2_    18     1.38598   111.59736   174.88132
   19    18 S   H    _HN2    19     1.01586   119.01594     2.06971
   20    18 S   CT1  _CA2    20     1.46265   123.43585  -177.31088
   21    20 S   HC   _HA2    21     1.09728   109.42609   -11.59770
   22    20 S   C    _C2_    22     1.53394   108.44783  -127.41380
   23    22 S   O    _O2_    23     1.23013   122.21522  -146.09364
   24    20 S   CT   _CB2    32     1.53447   111.08754   110.41646
   25    24 S   HC   HB21    33     1.09407   109.43177    55.89799
   26    24 S   HC   HB22    34     1.09508   110.73218   174.39528
   27    22 S   N    _N3_    24     1.38500   113.37669    41.28850
   28    27 S   H    _HN3    25     1.01528   118.90000    -0.69267
   29    24 S   S    _SG2    35     1.82787   111.46054   -66.21501
   30    27 S   CT   _CA3    26     1.45460   123.52379   175.10231
   31    30 S   HC   HA31    27     1.09517   109.32684    22.51587
   32    30 S   HC   HA32    28     1.09498   107.09599   139.53765
   33    29 S   CT   _C15    36     1.84121   100.25457   157.72820
   34    33 S   HC   _H3_    37     1.09823   106.34501    40.72009
   35    30 S   CO3  _C3_    29     1.52924   113.06799  -101.02333
   36    35 S   O2Z  _O31    30     1.26406   115.38804   -44.52402
   37    35 S   O2Z  _O32    31     1.26353   114.99162   136.39880
   38    33 S   CT   _C9_    38     1.54757   111.56055   -75.25688
   39    38 S   HC   _H26    39     1.09482   109.17970  -179.43283
   40    38 S   HC   _H27    40     1.09883   108.09343    69.83804
   41    33 S   CT   _C12    57     1.55231   110.38532   156.26505
   42    41 S   HC   _H31    58     1.09266   110.91981    54.16539
   43    38 S   CT   _C8_    41     1.54019   120.46629   -52.43471
   44    43 S   HC   _H24    42     1.09836   107.97452  -163.48652
   45    43 S   HC   _H25    43     1.09926   107.05074    84.93502
   46    41 S   CT   _C18    59     1.53460   113.12509   -65.53775
   47    46 S   HC   _H38    60     1.09568   111.38843   -53.40843
   48    46 S   HC   _H39    61     1.09615   110.65498  -172.72943
   49    46 S   HC   _H40    62     1.09397   111.70579    67.68418
   50    43 S   CM   _C4_    44     1.50521   119.54306   -39.45444
   51    50 S   C4T  _C11    45     1.49383   122.74326   -67.88915
   52    51 S   HC   _H30    46     1.10191   109.91616   147.09617
   53    50 S   CM   _C6_    78     1.34494   120.76037   116.08516
   54    53 S   HC   _H22    79     1.08542   121.90278   177.83499
   55    53 S   HC   _H23    80     1.08478   121.47703    -1.72850
   56    51 S   C4T  _C10    47     1.55054   115.13761   -86.41397
   57    56 S   HC   _H28    48     1.09470   115.26392   -93.71309
   58    56 S   HC   _H29    49     1.09772   114.37404    32.40066
   59    51 S   C4T  _C14    51     1.55997   120.75570    16.43329
   60    59 S   HC   _H33    52     1.09901   113.80743   -32.82986
   61    56 S   C4T  _C16    50     1.55839    88.07887   148.28015
   62    59 S   CT   _C13    53     1.53196   116.67019    96.61337
   63    62 S   HC   _H32    54     1.09643   110.76762    40.50092
   64    62 S   CO4  _C5_    55     1.53092   113.25945   -81.57278
   65    64 S   O    _O18    56     1.23336   121.82995  -110.23664
   66    62 S   OS   _O20    63     1.44124   106.94029   159.89587
   67    61 S   CT   _C19    70     1.53131   113.12628    93.84488
   68    67 S   HC   _H41    71     1.09483   111.04366  -172.35661
   69    67 S   HC   _H42    72     1.09570   110.63334    68.21005
   70    67 S   HC   _H43    73     1.09450   112.29008   -51.72745
   71    61 S   CT   _C20    74     1.52833   113.32086  -139.06293
   72    71 S   HC   _H44    75     1.09521   110.84436   169.67865
   73    71 S   HC   _H45    76     1.09546   111.71316    49.64507
   74    71 S   HC   _H46    77     1.09537   110.90659   -70.31486
   75    66 S   CO4  _C7_    64     1.36331   117.11747  -154.47148
   76    75 S   O    _O19    65     1.22317   126.37350    -0.31898
   77    75 S   CT   _C17    66     1.49812   109.45810   179.67797
   78    77 S   HC   _H35    67     1.09297   109.80495   -60.45281
   79    77 S   HC   _H36    68     1.09375   109.36763  -179.47400
   80    77 S   HC   _H37    69     1.09287   109.81767    61.43870
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  12   6   5  12   7  10   4   3   6   3   2
   1  12  16   8   4   1   1  14   5   4  16   7  12   9   4   3
   1   6   7   3   2   1   3   2   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    64    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    62    64    65    41    42    46    47    48    49  
   38    39    40    43    64    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    64    41    42    46    53  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    66    43    59    62    63    64    65  
   46    47    48    49    62    64    65  
   44    45    50    51    52    56    59    53    54    55  
   45    50    51    53  
   50    51    53  
   47    48    49    62    64    65  
   48    49    64  
   49    64  
   64  
   51    52    56    57    58    61    59    60    62    53    54    55  
   52    56    57    58    61    59    60    62    63    64    66    67    71    53    54    55  
   56    57    58    61    59    60    62    53  
   54    55    56    59  
   55  
    0  
   57    58    61    59    60    62    67    68    69    70    71    72    73    74  
   58    61    59    67    71  
   61    59    67    71  
   60    62    63    64    65    66    75    67    68    69    70    71    72    73    74    61  
   62    63    64    66    67    71    61  
   62    63    64    66    67    68    69    70    71    72    73    74  
   63    64    65    66    75    76    77    67    71  
   64    65    66    75  
   65    66    75  
   66  
   75    76    77    78    79    80  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.510
   50    51   317.000  1.510
   50    53   549.000  1.340
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    59   268.000  1.529
   61    67   260.000  1.519
   61    71   260.000  1.519
   59    60   340.000  1.090
   59    62   260.000  1.519
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   320.000  1.410
   64    65   570.000  1.229
   64    41   317.000  1.522
   41    42   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   66    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   53    54   340.000  1.080
   53    55   340.000  1.080
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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    64    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    65.00000  117.92700
   43    50    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    51    59    70.00000  112.02700
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    63.00000   92.00000
   51    59    61    63.00000   92.00000
   51    59    60    37.50000  110.70000
   51    59    62    65.00000  119.52000
   56    51    52    37.50000  110.70000
   56    61    59    63.00000   92.00000
   56    61    67    65.00000  119.52000
   56    61    71    65.00000  119.52000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    59    62    65.00000  119.52000
   61    67    68    45.00000  111.22300
   61    67    69    45.00000  111.22300
   61    67    70    45.00000  111.22300
   61    71    72    45.00000  111.22300
   61    71    73    45.00000  111.22300
   61    71    74    45.00000  111.22300
   59    51    52    37.50000  110.70000
   59    51    56    63.00000   92.00000
   59    62    63    45.00000  111.22300
   59    62    64    63.00000  111.10000
   59    62    66    50.00000  109.50000
   62    59    60    45.00000  112.72800
   62    64    65    80.00000  120.40000
   62    64    41    70.00000  116.00000
   62    66    75    83.00000  116.90000
   64    62    63    35.00000  109.50000
   64    41    42    35.00000  109.50000
   64    41    46    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    64    65    80.00000  120.40000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    90.00000  108.74100
   66    75    76    83.00000  123.40000
   66    75    77    81.00000  111.40000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   77    75    76    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   67    61    59    65.00000  119.52000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    61    59    65.00000  119.52000
   71    61    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    64   0.56750  1.0 1.0
   29    33    41    64  -0.07550 -1.0 2.0
   29    33    41    64   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.34400  1.0 1.0
   33    38    43    50   0.09450 -1.0 2.0
   33    38    43    50   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    64  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    64  -0.95700  1.0 1.0
   38    33    41    64  -0.18200 -1.0 2.0
   38    33    41    64   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.46850  1.0 1.0
   38    43    50    51   0.08550 -1.0 2.0
   38    43    50    51   0.09800  1.0 3.0
   38    43    50    53   0.09850  1.0 1.0
   38    43    50    53   0.15250 -1.0 2.0
   38    43    50    53  -0.50650  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    51    52   0.34800  1.0 3.0
   43    50    51    56   0.46850  1.0 1.0
   43    50    51    56   0.08550 -1.0 2.0
   43    50    51    56   0.09800  1.0 3.0
   43    50    51    59   0.46850  1.0 1.0
   43    50    51    59   0.08550 -1.0 2.0
   43    50    51    59   0.09800  1.0 3.0
   43    50    53    54   7.00000 -1.0 2.0
   43    50    53    55   7.00000 -1.0 2.0
   44    43    50    51   0.34800  1.0 3.0
   44    43    50    53   0.00000  1.0 1.0
   45    43    50    51   0.34800  1.0 3.0
   45    43    50    53   0.00000  1.0 1.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    61   0.34400  1.0 1.0
   50    51    56    61   0.09450 -1.0 2.0
   50    51    56    61   0.11100  1.0 3.0
   50    51   -59    61   0.34400  1.0 1.0
   50    51   -59    61   0.09450 -1.0 2.0
   50    51   -59    61   0.11100  1.0 3.0
   50    51    59    60   0.15000  1.0 3.0
   50    51    59    62   0.34400  1.0 1.0
   50    51    59    62   0.09450 -1.0 2.0
   50    51    59    62   0.11100  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -61    59   0.00000  1.0 1.0
   51    56    61    67  -0.70950  1.0 1.0
   51    56    61    67   0.38400 -1.0 2.0
   51    56    61    71  -0.70950  1.0 1.0
   51    56    61    71   0.38400 -1.0 2.0
   51    59    62    63   0.00000  1.0 1.0
   51    59    62    64  -0.95700  1.0 1.0
   51    59    62    64  -0.18200 -1.0 2.0
   51    59    62    64   0.29450  1.0 3.0
   51    59    62    66   0.62750  1.0 1.0
   51    59    62    66  -0.30950 -1.0 2.0
   51    59    62    66   0.27300  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   52    51   -59    61   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   56    51   -59    61   0.00000  1.0 1.0
   56    51    59    60   0.15000  1.0 3.0
   56    51    59    62  -0.70950  1.0 1.0
   56    51    59    62   0.38400 -1.0 2.0
   56    61   -59    51   0.00000  1.0 1.0
   56    61   -59    60   0.15000  1.0 3.0
   56    61   -59    62  -0.70950  1.0 1.0
   56    61   -59    62   0.38400 -1.0 2.0
   56    61    67    68   0.00000  1.0 1.0
   56    61    67    69   0.00000  1.0 1.0
   56    61    67    70   0.00000  1.0 1.0
   56    61    71    72   0.00000  1.0 1.0
   56    61    71    73   0.00000  1.0 1.0
   56    61    71    74   0.00000  1.0 1.0
   57    56    61    59   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   57    56    61    71   0.15000  1.0 3.0
   58    56    61    59   0.15000  1.0 3.0
   58    56    61    67   0.15000  1.0 3.0
   58    56    61    71   0.15000  1.0 3.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    64  -0.95700  1.0 1.0
   61    59    62    64  -0.18200 -1.0 2.0
   61    59    62    64   0.29450  1.0 3.0
   61    59    62    66   0.62750  1.0 1.0
   61    59    62    66  -0.30950 -1.0 2.0
   61    59    62    66   0.27300  1.0 3.0
   59    51   -56    57   0.15000  1.0 3.0
   59    51   -56    58   0.15000  1.0 3.0
   59    51   -56    61   0.00000  1.0 1.0
   59    61    67    68   0.00000  1.0 1.0
   59    61    67    69   0.00000  1.0 1.0
   59    61    67    70   0.00000  1.0 1.0
   59    61    71    72   0.00000  1.0 1.0
   59    61    71    73   0.00000  1.0 1.0
   59    61    71    74   0.00000  1.0 1.0
   59    62    64    65   0.30150 -1.0 2.0
   59    62    64    41   0.60050  1.0 1.0
   59    62    64    41   0.05600 -1.0 2.0
   59    62    64    41   0.26150  1.0 3.0
   59    62    66    75  -0.25900  1.0 1.0
   59    62    66    75  -0.47000 -1.0 2.0
   59    62    66    75   0.11750  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64  -0.11250  1.0 3.0
   60    59    62    66   0.23400  1.0 3.0
   62    64    41    33   0.60050  1.0 1.0
   62    64    41    33   0.05600 -1.0 2.0
   62    64    41    33   0.26150  1.0 3.0
   62    64    41    42   0.00000  1.0 1.0
   62    64    41    46   0.60050  1.0 1.0
   62    64    41    46   0.05600 -1.0 2.0
   62    64    41    46   0.26150  1.0 3.0
   62    66    75    76   3.00000 -1.0 2.0
   62    66    75    77   1.63150  1.0 1.0
   62    66    75    77   2.92000 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    41   0.00000  1.0 1.0
   63    62    66    75   0.08050  1.0 3.0
   64    62    66    75  -1.80650  1.0 1.0
   64    62    66    75   0.63900 -1.0 2.0
   64    62    66    75   0.03650  1.0 3.0
   64    41    46    47  -0.11250  1.0 3.0
   64    41    46    48  -0.11250  1.0 3.0
   64    41    46    49  -0.11250  1.0 3.0
   65    64    41    33   0.30150 -1.0 2.0
   65    64    41    42   0.00000  1.0 1.0
   65    64    41    46   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   66    62    64    65   0.30150 -1.0 2.0
   66    62    64    41   0.55300  1.0 1.0
   66    62    64    41   1.25850 -1.0 2.0
   66    62    64    41  -0.23600  1.0 3.0
   66    75    77    78   0.00000  1.0 1.0
   66    75    77    79   0.00000  1.0 1.0
   66    75    77    80   0.00000  1.0 1.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.00000  1.0 1.0
   67    61   -59    51  -0.70950  1.0 1.0
   67    61   -59    51   0.38400 -1.0 2.0
   67    61    59    60   0.15000  1.0 3.0
   67    61    59    62   0.56750  1.0 1.0
   67    61    59    62  -0.07550 -1.0 2.0
   67    61    59    62   0.20000  1.0 3.0
   67    61    71    72   0.15000  1.0 3.0
   67    61    71    73   0.15000  1.0 3.0
   67    61    71    74   0.15000  1.0 3.0
   71    61   -59    51  -0.70950  1.0 1.0
   71    61   -59    51   0.38400 -1.0 2.0
   71    61    59    60   0.15000  1.0 3.0
   71    61    59    62   0.56750  1.0 1.0
   71    61    59    62  -0.07550 -1.0 2.0
   71    61    59    62   0.20000  1.0 3.0
   71    61    67    68   0.15000  1.0 3.0
   71    61    67    69   0.15000  1.0 3.0
   71    61    67    70   0.15000  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    56   0.09850  1.0 1.0
   53    50    51    56   0.15250 -1.0 2.0
   53    50    51    56  -0.50650  1.0 3.0
   53    50    51    59   0.09850  1.0 1.0
   53    50    51    59   0.15250 -1.0 2.0
   53    50    51    59  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   43    51    50    53   1.10000 -1.0 2.0
   62    41    64    65  10.50000 -1.0 2.0
   66    77    75    76  10.50000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
