* LIGAND DATABASE FILE (OPLS2005)
*
001      79    79    138    206     403
    1     0 S   NP   _N1_     1    28.78741    95.79105   -24.12284
    2     1 S   H    _HN1     2     1.02949    76.61335     4.99720
    3     1 S   H    _H1_     3     1.02829    31.88561   167.68515
    4     1 S   H    _H2_     4     1.02789   109.73526   -99.98200
    5     1 S   CT   _CA1     5     1.50116   131.94056   110.56797
    6     5 S   HC   _HA1     6     1.09573   105.19362    87.60447
    7     5 S   CO3  _C1_     7     1.53789   112.40319   -32.64594
    8     7 S   O2Z  _O11     8     1.26378   115.01063   -43.84757
    9     7 S   O2Z  _O12     9     1.26236   114.94533   135.20670
   10     5 S   CT   _CB1    10     1.53068   107.41092  -154.42108
   11    10 S   HC   HB11    11     1.09837   109.39526   -49.47480
   12    10 S   HC   HB12    12     1.09812   110.45182    67.13379
   13    10 S   CT   _CG1    13     1.53003   112.60149  -170.41827
   14    13 S   HC   HG11    14     1.09579   110.66774   -65.49058
   15    13 S   HC   HG12    15     1.09668   109.76570    53.75233
   16    13 S   C    _CD1    16     1.51805   112.12295   174.23795
   17    16 S   O    _OE1    17     1.22748   123.22933     8.46587
   18    16 S   N    _N2_    18     1.38632   111.74081  -171.62175
   19    18 S   H    _HN2    19     1.01575   119.04874     1.44320
   20    18 S   CT1  _CA2    20     1.46245   123.43046   177.95244
   21    20 S   HC   _HA2    21     1.09739   109.24403     6.16497
   22    20 S   C    _C2_    22     1.53641   109.00874  -109.39064
   23    22 S   O    _O2_    23     1.23084   122.24318  -150.04936
   24    20 S   CT   _CB2    32     1.53377   111.53163   128.03977
   25    24 S   HC   HB21    33     1.09535   109.79332    57.43776
   26    24 S   HC   HB22    34     1.09484   109.92457   176.35659
   27    22 S   N    _N3_    24     1.38323   113.87670    37.50656
   28    27 S   H    _HN3    25     1.01553   119.59132    -3.40329
   29    24 S   S    _SG2    35     1.83193   111.20905   -63.93840
   30    27 S   CT   _CA3    26     1.45274   123.23286   177.12751
   31    30 S   HC   HA31    27     1.09549   107.52418   -64.42840
   32    30 S   HC   HA32    28     1.09557   107.97534    52.01276
   33    29 S   CT   _C12    36     1.88918   100.60092   175.15795
   34    33 S   OM   _O36    37     1.32038   107.04984   -72.49522
   35    30 S   CO3  _C3_    29     1.52960   114.07946   174.01136
   36    35 S   O2Z  _O31    30     1.26378   116.08942    -0.18663
   37    35 S   O2Z  _O32    31     1.26430   114.40633   179.86730
   38    33 S   CT   _C9_    38     1.58122   107.77154   168.18542
   39    38 S   HC   _H3_    39     1.09623   108.80463   177.63355
   40    33 S   OS   _O37    66     1.44741   106.55104    48.28766
   41    38 S   CT   _C10    40     1.54854   115.45203    57.05591
   42    41 S   HC   _H14    41     1.09689   110.83787   -74.42671
   43    41 S   HC   _H15    42     1.09630   110.76267    45.29469
   44    38 S   N    _N4_    48     1.47443   109.80201   -66.30804
   45    44 S   H    _H13    49     1.01437   117.68539    62.32584
   46    40 S   CA   _C13    67     1.36529   124.85057   173.23456
   47    41 S   C    _C11    43     1.52013   113.54577   164.46283
   48    47 S   O    _O35    44     1.22643   124.67866    -7.94231
   49    44 S   CO4  _C8_    50     1.37555   124.62217  -113.76893
   50    49 S   O    _O34    51     1.22436   125.67747    -2.75541
   51    46 S   CA   _C14    68     1.39543   126.65913    22.02671
   52    51 S   HA   _H18    69     1.08443   121.92405     0.26393
   53    47 S   N    _N5_    45     1.37744   112.42009   173.06421
   54    53 S   H    _H16    46     1.01431   122.43375    -0.20653
   55    53 S   H    _H17    47     1.01374   120.35778   179.60733
   56    49 S   OS   _O33    52     1.36163   109.03721   176.64660
   57    51 S   CA   _C15    70     1.39858   120.45385  -179.68102
   58    57 S   HA   _H19    71     1.08674   118.60824   179.13997
   59    56 S   CT   _C5_    53     1.45364   121.87643  -178.06417
   60    57 S   CA   _C16    72     1.39672   119.49752    -0.49178
   61    59 S   CT   _C4_    54     1.53252   110.99780    62.00018
   62    61 S   HC   _H4_    55     1.09423   111.92187   -68.69809
   63    61 S   HC   _H5_    56     1.09582   110.78027    50.16810
   64    61 S   HC   _H6_    57     1.09528   111.33128   171.06429
   65    59 S   CT   _C6_    58     1.53526   104.86923   179.36326
   66    65 S   HC   _H7_    59     1.09628   110.82071    58.92903
   67    65 S   HC   _H8_    60     1.09629   110.81553   -58.90882
   68    65 S   HC   _H9_    61     1.09504   111.80857  -179.98022
   69    59 S   CT   _C7_    62     1.53184   111.03883   -63.21677
   70    69 S   HC   _H10    63     1.09581   110.77687   -50.28582
   71    69 S   HC   _H11    64     1.09418   111.90715    68.55775
   72    69 S   HC   _H12    65     1.09531   111.33312  -171.18682
   73    60 S   CA   _C17    73     1.39518   120.85801    -0.49218
   74    73 S   HA   _H20    74     1.08622   122.11599  -179.39607
   75    60 S   NO2  _N6_    77     1.45802   119.59153   179.67135
   76    75 S   ON   _O39    78     1.23874   117.72745    20.21570
   77    75 S   ON   _O38    79     1.23883   117.69429  -159.83986
   78    46 S   CA   _C18    75     1.40172   114.15006  -159.10655
   79    78 S   HA   _H21    76     1.08790   119.83362     0.31027
  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   8   5   4   3
  14   6   2   1   1  14   8   9  10   5   4   6   3   9   4   3
   6   2   8   4   2   1   1  13   8   3  12   7  11   4   3   2
   7   3   2   1   3   2   1   1   6   3   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    44    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    47    44    45    49    40    46    51    78  
   38    39    41    44    40    46  
   36    37  
   37  
    0  
   39    41    42    43    47    48    53    44    45    49    50    56    40    46  
   41    42    43    47    44    45    49    40  
   46    51    52    57    73    78    79    41    44  
   42    43    47    48    53    54    55    44    45    49  
   43    47    48    53    44  
   47    48    53    44  
   45    49    50    56    59    47  
   49    50    56  
   51    52    57    58    60    73    74    78    79  
   48    53    54    55  
   53    54    55  
   50    56    59    61    65    69  
   56    59  
   52    57    58    60    73    78    79    75  
   57    58    60    78  
   54    55  
   55  
    0  
   59    61    62    63    64    65    66    67    68    69    70    71    72  
   58    60    73    74    78    75    76    77  
   60    73    75  
   61    62    63    64    65    66    67    68    69    70    71    72  
   73    74    78    79    75    76    77  
   62    63    64    65    66    67    68    69    70    71    72  
   63    64    65    69  
   64    65    69  
   65    69  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    78    79    75    76    77  
   78    79    75  
   76    77    78  
   77  
    0  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.2500   0.1700  -0.438900   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.7500   0.1050   0.515900   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.497000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   54   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   55   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   76   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   77   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    44   337.000  1.449
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.522
   47    48   570.000  1.229
   47    53   490.000  1.335
   53    54   434.000  1.010
   53    55   434.000  1.010
   44    45   434.000  1.010
   44    49   435.000  1.380
   49    50   570.000  1.229
   49    56   214.000  1.327
   56    59   320.000  1.410
   59    61   268.000  1.529
   59    65   268.000  1.529
   59    69   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    46   450.000  1.364
   46    51   469.000  1.400
   46    78   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    60   469.000  1.400
   60    73   469.000  1.400
   60    75   400.000  1.460
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   75    76   550.000  1.225
   75    77   550.000  1.225
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    44    70.00000  110.72300
   33    40    46    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    47    63.00000  111.10000
   38    44    45    38.00000  118.40000
   38    44    49    70.00000  120.44000
   41    38    39    37.50000  110.70000
   41    47    48    80.00000  120.40000
   41    47    53    70.00000  116.60000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    53    54    35.00000  119.80000
   47    53    55    35.00000  119.80000
   53    47    48    80.00000  122.90000
   55    53    54    35.00000  120.00000
   44    38    39    35.00000  109.50000
   44    38    41    70.00000  110.72300
   44    49    50    85.00000  125.96000
   44    49    56   110.00000  108.75700
   49    44    45    50.00000  116.34900
   49    56    59    83.00000  116.90000
   56    49    50    83.00000  123.40000
   56    59    61    50.00000  109.50000
   56    59    65    50.00000  109.50000
   56    59    69    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   59    69    70    37.50000  110.70000
   59    69    71    37.50000  110.70000
   59    69    72    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    59    61    58.35000  112.70000
   69    59    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    46    51    70.00000  120.00000
   40    46    78    70.00000  120.00000
   46    51    52    35.00000  120.00000
   46    51    57    63.00000  120.00000
   46    78    73    63.00000  120.00000
   46    78    79    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    60    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    60    73    63.00000  120.00000
   57    60    75    85.00000  120.00000
   60    57    58    35.00000  120.00000
   60    73    74    35.00000  120.00000
   60    73    78    63.00000  120.00000
   60    75    76    80.00000  117.50000
   60    75    77    80.00000  117.50000
   73    78    79    35.00000  120.00000
   78    46    51    63.00000  120.00000
   78    73    74    35.00000  120.00000
   75    60    73    85.00000  120.00000
   77    75    76    80.00000  125.30000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    46   0.14700  1.0 1.0
   29    33    40    46  -1.16150 -1.0 2.0
   29    33    40    46   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    47  -0.95700  1.0 1.0
   33    38    41    47  -0.18200 -1.0 2.0
   33    38    41    47   0.29450  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    49  -0.43950  1.0 1.0
   33    38    44    49  -0.08100 -1.0 2.0
   33    38    44    49   0.03350  1.0 3.0
   33    40    46    51   1.63200 -1.0 2.0
   33    40    46    78   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    44   1.12100  1.0 1.0
   34    33    38    44  -0.16500 -1.0 2.0
   34    33    40    46  -0.25600  1.0 1.0
   34    33    40    46  -0.40050 -1.0 2.0
   34    33    40    46   0.34700  1.0 3.0
   38    33    40    46  -0.32850  1.0 1.0
   38    33    40    46  -0.35800 -1.0 2.0
   38    33    40    46   0.33950  1.0 3.0
   38    41    47    48   0.30150 -1.0 2.0
   38    41    47    53   1.39750  1.0 1.0
   38    41    47    53  -0.07950 -1.0 2.0
   38    41    47    53  -0.18750  1.0 3.0
   38    44    49    50   3.04450 -1.0 2.0
   38    44    49    56   2.45000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    47  -0.11250  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   41    38    44    45   0.00000  1.0 1.0
   41    38    44    49  -0.43950  1.0 1.0
   41    38    44    49  -0.08100 -1.0 2.0
   41    38    44    49   0.03350  1.0 3.0
   41    47    53    54   2.45000 -1.0 2.0
   41    47    53    55   2.45000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    53   0.00000  1.0 1.0
   43    41    47    48   0.00000  1.0 1.0
   43    41    47    53   0.00000  1.0 1.0
   48    47    53    54   2.45000 -1.0 2.0
   48    47    53    55   2.45000 -1.0 2.0
   44    38    41    42   0.15000  1.0 3.0
   44    38    41    43   0.15000  1.0 3.0
   44    38    41    47  -2.10200  1.0 1.0
   44    38    41    47  -0.31600 -1.0 2.0
   44    38    41    47   0.13050  1.0 3.0
   44    49    56    59  -0.80800  1.0 1.0
   44    49    56    59   2.06850 -1.0 2.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    56   2.56700 -1.0 2.0
   49    56    59    61  -0.25900  1.0 1.0
   49    56    59    61  -0.47000 -1.0 2.0
   49    56    59    61   0.11750  1.0 3.0
   49    56    59    65  -0.25900  1.0 1.0
   49    56    59    65  -0.47000 -1.0 2.0
   49    56    59    65   0.11750  1.0 3.0
   49    56    59    69  -0.25900  1.0 1.0
   49    56    59    69  -0.47000 -1.0 2.0
   49    56    59    69   0.11750  1.0 3.0
   50    49    56    59   3.00000 -1.0 2.0
   56    59    61    62   0.23400  1.0 3.0
   56    59    61    63   0.23400  1.0 3.0
   56    59    61    64   0.23400  1.0 3.0
   56    59    65    66   0.23400  1.0 3.0
   56    59    65    67   0.23400  1.0 3.0
   56    59    65    68   0.23400  1.0 3.0
   56    59    69    70   0.23400  1.0 3.0
   56    59    69    71   0.23400  1.0 3.0
   56    59    69    72   0.23400  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    68   0.15000  1.0 3.0
   61    59    69    70   0.15000  1.0 3.0
   61    59    69    71   0.15000  1.0 3.0
   61    59    69    72   0.15000  1.0 3.0
   65    59    61    62   0.15000  1.0 3.0
   65    59    61    63   0.15000  1.0 3.0
   65    59    61    64   0.15000  1.0 3.0
   65    59    69    70   0.15000  1.0 3.0
   65    59    69    71   0.15000  1.0 3.0
   65    59    69    72   0.15000  1.0 3.0
   69    59    61    62   0.15000  1.0 3.0
   69    59    61    63   0.15000  1.0 3.0
   69    59    61    64   0.15000  1.0 3.0
   69    59    65    66   0.15000  1.0 3.0
   69    59    65    67   0.15000  1.0 3.0
   69    59    65    68   0.15000  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    44   1.12100  1.0 1.0
   40    33    38    44  -0.16500 -1.0 2.0
   40    46    51    52   3.62500 -1.0 2.0
   40    46    51    57   3.62500 -1.0 2.0
   40    46    78    73   3.62500 -1.0 2.0
   40    46    78    79   3.62500 -1.0 2.0
   46    51    57    58   3.62500 -1.0 2.0
   46    51    57    60   3.62500 -1.0 2.0
   51    46    78    73   3.62500 -1.0 2.0
   51    46    78    79   3.62500 -1.0 2.0
   51    57   -60    73   3.62500 -1.0 2.0
   51    57    60    75   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    60   3.62500 -1.0 2.0
   57    60    73    74   3.62500 -1.0 2.0
   57    60    73    78   3.62500 -1.0 2.0
   57    60    75    76   0.69950 -1.0 2.0
   57    60    75    77   0.69950 -1.0 2.0
   58    57    60    73   3.62500 -1.0 2.0
   58    57    60    75   3.62500 -1.0 2.0
   60    73   -78    46   3.62500 -1.0 2.0
   60    73    78    79   3.62500 -1.0 2.0
   73    60    75    76   0.69950 -1.0 2.0
   73    60    75    77   0.69950 -1.0 2.0
   74    73    78    46   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   78    46    51    52   3.62500 -1.0 2.0
   78    46   -51    57   3.62500 -1.0 2.0
   75    60    73    74   3.62500 -1.0 2.0
   75    60    73    78   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    53    47    48  10.50000 -1.0 2.0
   55    47    53    54   1.00000 -1.0 2.0
   45    49    44    38   1.00000 -1.0 2.0
   44    56    49    50  10.50000 -1.0 2.0
   51    78    46    40   4.00000 -1.0 2.0
   57    52    51    46   1.10000 -1.0 2.0
   60    58    57    51   1.10000 -1.0 2.0
   73    75    60    57   4.00000 -1.0 2.0
   78    74    73    60   1.10000 -1.0 2.0
   73    79    78    46   1.10000 -1.0 2.0
   76    60    75    77  10.50000 -1.0 2.0
END
