* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    147    233     436
    1     0 S   NP   _N1_     1    29.79023    93.52235   -25.55422
    2     1 S   H    _HN1     2     1.02953    82.75773    15.72358
    3     1 S   H    _H1_     3     1.02824    24.35031  -161.12955
    4     1 S   H    _H2_     4     1.02790   118.32166   -91.23910
    5     1 S   CT   _CA1     5     1.50118   119.91221   125.12662
    6     5 S   HC   _HA1     6     1.09570   105.20637    84.18949
    7     5 S   CO3  _C1_     7     1.53776   112.52730   -36.10195
    8     7 S   O2Z  _O11     8     1.26372   115.01679   -41.73638
    9     7 S   O2Z  _O12     9     1.26241   114.94719   137.43194
   10     5 S   CT   _CB1    10     1.53027   107.37635  -157.81437
   11    10 S   HC   HB11    11     1.09848   109.34246   -49.71962
   12    10 S   HC   HB12    12     1.09821   110.42456    66.82432
   13    10 S   CT   _CG1    13     1.53034   112.69877  -170.72100
   14    13 S   HC   HG11    14     1.09564   110.74289   -66.36093
   15    13 S   HC   HG12    15     1.09662   109.80165    53.03987
   16    13 S   C    _CD1    16     1.51688   111.86405   173.46115
   17    16 S   O    _OE1    17     1.22724   123.00648    10.00017
   18    16 S   N    _N2_    18     1.38593   111.92521  -170.22863
   19    18 S   H    _HN2    19     1.01577   119.13086    -0.84209
   20    18 S   CT1  _CA2    20     1.46126   123.17282   176.27548
   21    20 S   HC   _HA2    21     1.09516   109.17386    -7.84210
   22    20 S   C    _C2_    22     1.53514   108.47501  -122.12877
   23    22 S   O    _O2_    23     1.23015   122.45201  -150.01171
   24    20 S   CT   _CB2    32     1.53341   112.21037   114.96857
   25    24 S   HC   HB21    33     1.09669   109.34964    63.66038
   26    24 S   HC   HB22    34     1.09455   110.63268  -179.71196
   27    22 S   N    _N3_    24     1.38390   113.40209    37.72411
   28    27 S   H    _HN3    25     1.01609   119.38134    -5.16460
   29    24 S   S    _SG2    35     1.83212   115.10252   -55.68900
   30    27 S   CT   _CA3    26     1.45231   123.31471   176.07879
   31    30 S   HC   HA31    27     1.09553   107.59727   -61.00375
   32    30 S   HC   HA32    28     1.09546   107.89661    55.44940
   33    29 S   CT   _C10    36     1.84642   100.78159   -64.99280
   34    33 S   HC   _H6_    37     1.09181   104.06959    49.76856
   35    30 S   CO3  _C3_    29     1.52939   113.98339   177.25177
   36    35 S   O2Z  _O31    30     1.26382   116.02999    -4.41149
   37    35 S   O2Z  _O32    31     1.26407   114.44975   175.66325
   38    33 S   CT   _C9_    38     1.55166   110.62281   164.72676
   39    38 S   HC   _H5_    39     1.09672   113.88000   -14.68016
   40    33 S   CT   _C11    50     1.56472   120.89394   -71.82935
   41    40 S   OM   _O33    51     1.32284   113.83676   -10.79968
   42    40 S   HC   _H7_    52     1.09917   106.16706   119.92782
   43    38 S   CT   _C8_    40     1.54845   111.57819  -136.80026
   44    43 S   HC   _H14    41     1.09580   109.04980    65.91697
   45    43 S   HC   _H15    42     1.09861   108.05724  -178.37779
   46    43 S   CT   _C7_    43     1.54279   113.70233   -58.31012
   47    46 S   HC   _H4_    44     1.09727   109.87453  -154.28422
   48    46 S   CT   _C6_    45     1.54324   112.67219   -33.53299
   49    48 S   HC   _H12    46     1.09873   108.10277   -86.84011
   50    48 S   HC   _H13    47     1.09699   110.19785   156.64322
   51    46 S   OS   _O34    58     1.44663   110.55170    87.05394
   52    48 S   CT   _C5_    48     1.55224   114.19087    33.17423
   53    52 S   HC   _H3_    49     1.09910   107.23681  -174.19282
   54    51 S   CO4  _C12    59     1.36627   118.06617    79.55548
   55    54 S   O    _O35    60     1.22394   125.21749    -1.15978
   56    38 S   NT   _N4_    53     1.46916   106.40875   109.71200
   57    54 S   CT   _C13    61     1.52621   109.31822   177.96289
   58    57 S   HC   _H8_    62     1.09912   106.22539    42.52367
   59    56 S   CT   _C4_    54     1.45620   113.57109   -85.74105
   60    59 S   HC   _H9_    55     1.09582   109.72182   -65.29983
   61    59 S   HC   _H10    56     1.09560   110.15272   177.86128
   62    59 S   HC   _H11    57     1.09240   114.66598    55.76304
   63    57 S   CA   _C15    63     1.52102   112.17274   160.33573
   64    57 S   CT   _C14    74     1.53439   109.85388   -75.32949
   65    64 S   HC   _H16    75     1.09567   111.79111   -41.16720
   66    64 S   HC   _H17    76     1.09567   111.18214  -162.76452
   67    63 S   CA   _C16    64     1.40324   119.75652  -112.72261
   68    67 S   HA   _H19    65     1.08681   120.43410    -0.13848
   69    64 S   OH   _O36    77     1.42401   109.71370    78.93215
   70    69 S   HO   _H18    78     0.97230   107.18312   179.92087
   71    67 S   CA   _C17    66     1.39597   120.79711   179.96574
   72    71 S   HA   _H20    67     1.08645   119.88179   180.00000
   73    71 S   CA   _C18    68     1.39255   120.06184     0.16313
   74    73 S   HA   _H21    69     1.08602   120.03522   179.88809
   75    73 S   CA   _C19    70     1.39298   119.87520     0.04423
   76    75 S   HA   _H22    71     1.08629   119.98023   179.96574
   77    63 S   CA   _C20    72     1.40407   121.78407    67.60182
   78    77 S   HA   _H23    73     1.08729   120.49467    -0.40397
  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
  15   8   2   1   1  18   8  11   5   4  12   6   5  11   6   8
   5   4   7   6   2  10   4   4  13   7   3   2   1   1  13   6
   3   2   8   4   1   1   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    52    40    41    42    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    46    48    52    53    40    41    42    56    59  
   38    39    43    52    40    41    42    56  
   36    37  
   37  
    0  
   39    43    44    45    46    47    48    52    53    40    41    42    56    59    60    61    62    51  
   43    44    45    46    52    40    56    59  
   41    42    56    59    43    46    48    49    50    52    53  
   42    56    48    52    53  
   56    48    52    53  
   44    45    46    47    48    49    50    52    56    59    51    54  
   45    46    47    48    56    51  
   46    47    48    56    51  
   47    48    49    50    52    53    56    51    54    55    57  
   48    49    50    52    51    54  
   49    50    52    53    56    59    51    54  
   50    52    53    56    51  
   52    53    56    51  
   54    55    57    58    63    64    52  
   53    56    59    60    61    62  
   56    59  
   55    57    58    63    67    77    64    65    66    69  
   57    58    63    64  
   59    60    61    62  
   58    63    67    68    71    75    77    78    64    65    66    69    70  
   63    67    77    64    65    66    69  
   60    61    62  
   61    62  
   62  
    0  
   67    68    71    72    73    75    76    77    78    64    65    66    69  
   65    66    69    70    67    77  
   66    69    70  
   69    70  
   68    71    72    73    74    75    77    78  
   71    72    73    77  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   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   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    56   382.000  1.448
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    40   268.000  1.529
   52    56   382.000  1.448
   40    41   570.000  1.307
   40    42   340.000  1.090
   56    59   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   51    54   214.000  1.327
   54    55   570.000  1.229
   54    57   317.000  1.522
   57    58   340.000  1.090
   57    63   317.000  1.510
   57    64   268.000  1.529
   63    67   469.000  1.400
   63    77   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    56    56.20000  109.47000
   33    40    52    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    46    58.35000  112.70000
   38    56    52    51.80000  107.20000
   38    56    59    51.80000  107.20000
   43    38    39    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    51    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    51    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    40    58.35000  112.70000
   48    52    56    56.20000  109.47000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    40    41    50.00000  109.50000
   52    40    42    37.50000  110.70000
   52    56    59    51.80000  107.20000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    52    53    37.50000  110.70000
   42    40    41    45.00000  125.66300
   56    38    39    35.00000  109.50000
   56    38    43    56.20000  109.47000
   56    52    53    35.00000  109.50000
   56    52    40    56.20000  109.47000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    50.00000  109.50000
   51    54    55    83.00000  123.40000
   51    54    57    81.00000  111.40000
   54    57    58    35.00000  109.50000
   54    57    63    70.00000  110.93000
   54    57    64    63.00000  111.10000
   57    54    55    80.00000  120.40000
   57    63    67    70.00000  120.00000
   57    63    77    70.00000  120.00000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    69    50.00000  109.50000
   63    57    58    35.00000  109.50000
   63    67    68    35.00000  120.00000
   63    67    71    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    78    35.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   77    63    67    63.00000  120.00000
   77    75    76    35.00000  120.00000
   64    57    58    37.50000  110.70000
   64    57    63    70.00000  112.17500
   64    69    70    55.00000  108.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    38    56   0.56750  1.0 1.0
   29    33    38    56  -0.07550 -1.0 2.0
   29    33    38    56   0.20000  1.0 3.0
   29    33    40    52   0.44750  1.0 1.0
   29    33    40    52  -0.17800 -1.0 2.0
   29    33    40    52   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  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    46   0.56750  1.0 1.0
   33    38    43    46  -0.07550 -1.0 2.0
   33    38    43    46   0.20000  1.0 3.0
   33    38   -56    52   0.23450  1.0 1.0
   33    38   -56    52   0.02050 -1.0 2.0
   33    38   -56    52   0.25250  1.0 3.0
   33    38    56    59   0.58650  1.0 1.0
   33    38    56    59   0.12600 -1.0 2.0
   33    38    56    59   0.33350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    56   0.15000  1.0 3.0
   34    33    40    52   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33   -40    52   0.56750  1.0 1.0
   38    33   -40    52  -0.07550 -1.0 2.0
   38    33   -40    52   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    46    47   0.15000  1.0 3.0
   38    43    46    48   0.56750  1.0 1.0
   38    43    46    48  -0.07550 -1.0 2.0
   38    43    46    48   0.20000  1.0 3.0
   38    43    46    51   0.62750  1.0 1.0
   38    43    46    51  -0.30950 -1.0 2.0
   38    43    46    51   0.27300  1.0 3.0
   38    56    59    60   0.28000  1.0 3.0
   38    56    59    61   0.28000  1.0 3.0
   38    56    59    62   0.28000  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    46   0.15000  1.0 3.0
   39    38    56    52   0.28000  1.0 3.0
   39    38    56    59   0.28000  1.0 3.0
   43    38    56    52   0.23450  1.0 1.0
   43    38    56    52   0.02050 -1.0 2.0
   43    38    56    52   0.25250  1.0 3.0
   43    38    56    59   0.58650  1.0 1.0
   43    38    56    59   0.12600 -1.0 2.0
   43    38    56    59   0.33350  1.0 3.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46   -48    52   0.56750  1.0 1.0
   43    46   -48    52  -0.07550 -1.0 2.0
   43    46   -48    52   0.20000  1.0 3.0
   43    46    51    54  -0.25900  1.0 1.0
   43    46    51    54  -0.47000 -1.0 2.0
   43    46    51    54   0.11750  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    51   0.23400  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    40   0.56750  1.0 1.0
   46    48    52    40  -0.07550 -1.0 2.0
   46    48    52    40   0.20000  1.0 3.0
   46    48    52    56   1.53400  1.0 1.0
   46    48    52    56  -0.09950 -1.0 2.0
   46    48    52    56   0.05700  1.0 3.0
   46    51    54    55   3.00000 -1.0 2.0
   46    51    54    57   1.63150  1.0 1.0
   46    51    54    57   2.92000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    51    54   0.08050  1.0 3.0
   48    46    51    54  -0.25900  1.0 1.0
   48    46    51    54  -0.47000 -1.0 2.0
   48    46    51    54   0.11750  1.0 3.0
   48    52    40    33   0.56750  1.0 1.0
   48    52    40    33  -0.07550 -1.0 2.0
   48    52    40    33   0.20000  1.0 3.0
   48    52    40    41   0.62750  1.0 1.0
   48    52    40    41  -0.30950 -1.0 2.0
   48    52    40    41   0.27300  1.0 3.0
   48    52    40    42   0.15000  1.0 3.0
   48    52   -56    38   0.23450  1.0 1.0
   48    52   -56    38   0.02050 -1.0 2.0
   48    52   -56    38   0.25250  1.0 3.0
   48    52    56    59   0.58650  1.0 1.0
   48    52    56    59   0.12600 -1.0 2.0
   48    52    56    59   0.33350  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    40   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    40   0.15000  1.0 3.0
   50    48    52    56   0.15000  1.0 3.0
   52    56    59    60   0.28000  1.0 3.0
   52    56    59    61   0.28000  1.0 3.0
   52    56    59    62   0.28000  1.0 3.0
   53    52    40    33   0.15000  1.0 3.0
   53    52    40    41   0.23400  1.0 3.0
   53    52    40    42   0.15000  1.0 3.0
   53    52    56    38   0.28000  1.0 3.0
   53    52    56    59   0.28000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33   -38    56   1.53400  1.0 1.0
   40    33   -38    56  -0.09950 -1.0 2.0
   40    33   -38    56   0.05700  1.0 3.0
   40    52   -56    38   0.23450  1.0 1.0
   40    52   -56    38   0.02050 -1.0 2.0
   40    52   -56    38   0.25250  1.0 3.0
   40    52    56    59   0.58650  1.0 1.0
   40    52    56    59   0.12600 -1.0 2.0
   40    52    56    59   0.33350  1.0 3.0
   56    38    43    44   0.15000  1.0 3.0
   56    38    43    45   0.15000  1.0 3.0
   56    38   -43    46   1.53400  1.0 1.0
   56    38   -43    46  -0.09950 -1.0 2.0
   56    38   -43    46   0.05700  1.0 3.0
   56    52   -40    33   1.53400  1.0 1.0
   56    52   -40    33  -0.09950 -1.0 2.0
   56    52   -40    33   0.05700  1.0 3.0
   56    52    40    41   1.74050  1.0 1.0
   56    52    40    42   0.15000  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    50   0.23400  1.0 3.0
   51    46    48    52   0.62750  1.0 1.0
   51    46    48    52  -0.30950 -1.0 2.0
   51    46    48    52   0.27300  1.0 3.0
   51    54    57    58   0.00000  1.0 1.0
   51    54    57    63   0.40000  1.0 3.0
   51    54    57    64   0.36750  1.0 3.0
   54    57    63    67   0.04300 -1.0 2.0
   54    57    63    77   0.04300 -1.0 2.0
   54    57    64    65  -0.11250  1.0 3.0
   54    57    64    66  -0.11250  1.0 3.0
   54    57    64    69  -0.09450  1.0 1.0
   54    57    64    69  -1.12950 -1.0 2.0
   54    57    64    69   0.54000  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    63   0.30150 -1.0 2.0
   55    54    57    64   0.30150 -1.0 2.0
   57    63    67    68   3.62500 -1.0 2.0
   57    63    67    71   3.62500 -1.0 2.0
   57    63    77    75   3.62500 -1.0 2.0
   57    63    77    78   3.62500 -1.0 2.0
   57    64    69    70  -0.11600  1.0 1.0
   57    64    69    70  -0.09450 -1.0 2.0
   57    64    69    70   0.21250  1.0 3.0
   58    57    63    67   0.00000  1.0 1.0
   58    57    63    77   0.00000  1.0 1.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    69   0.23400  1.0 3.0
   63    57    64    65   0.43200  1.0 3.0
   63    57    64    66   0.43200  1.0 3.0
   63    57    64    69   1.13150  1.0 1.0
   63    57    64    69  -1.01400 -1.0 2.0
   63    67    71    72   3.62500 -1.0 2.0
   63    67    71    73   3.62500 -1.0 2.0
   67    63    77    75   3.62500 -1.0 2.0
   67    63    77    78   3.62500 -1.0 2.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71   -73    75   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    63   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    63   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    63    67    68   3.62500 -1.0 2.0
   77    63   -67    71   3.62500 -1.0 2.0
   64    57    63    67   0.04150 -1.0 2.0
   64    57    63    77   0.04150 -1.0 2.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70   0.19450  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
   36    30    35    37  10.50000 -1.0 2.0
   51    57    54    55  10.50000 -1.0 2.0
   67    77    63    57   4.00000 -1.0 2.0
   71    68    67    63   1.10000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    63   1.10000 -1.0 2.0
END
