* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    140    200     401
    1     0 S   NP   _N1_     1    28.57763    96.02740   -22.15137
    2     1 S   H    _HN1     2     1.02786    96.66583   -95.41097
    3     1 S   H    _H1_     3     1.02949    77.38631    11.97946
    4     1 S   H    _H2_     4     1.02828    37.51276   153.75954
    5     1 S   CT   _CA1     5     1.50110   144.54534   119.54784
    6     5 S   HC   _HA1     6     1.09572   105.19812    80.72157
    7     5 S   CO3  _C1_     7     1.53787   112.46725   -39.53192
    8     7 S   O2Z  _O11     8     1.26374   115.00555   -42.54231
    9     7 S   O2Z  _O12     9     1.26239   114.94744   136.60697
   10     5 S   CT   _CB1    10     1.53080   107.42675  -161.27871
   11    10 S   HC   HB11    11     1.09834   109.38519   -49.60902
   12    10 S   HC   HB12    12     1.09813   110.44375    67.00256
   13    10 S   CT   _CG1    13     1.52995   112.60383  -170.57681
   14    13 S   HC   HG11    14     1.09580   110.64720   -65.60554
   15    13 S   HC   HG12    15     1.09670   109.77522    53.62927
   16    13 S   C    _CD1    16     1.51798   112.20210   174.10582
   17    16 S   O    _OE1    17     1.22734   123.27613     7.63412
   18    16 S   N    _N2_    18     1.38657   111.69530  -172.52123
   19    18 S   H    _HN2    19     1.01581   118.93996     1.70754
   20    18 S   CT1  _CA2    20     1.46192   123.36701   177.37699
   21    20 S   HC   _HA2    21     1.09741   109.36951     2.78080
   22    20 S   C    _C2_    22     1.53573   108.56209  -112.67082
   23    22 S   O    _O2_    23     1.23059   122.28071  -147.57390
   24    20 S   CT   _CB2    32     1.53509   111.71139   124.79580
   25    24 S   HC   HB21    33     1.09496   109.54934    56.23672
   26    24 S   HC   HB22    34     1.09267   109.55280   175.05355
   27    22 S   N    _N3_    24     1.38326   113.70321    39.84217
   28    27 S   H    _HN3    25     1.01583   119.60126    -3.27058
   29    24 S   S    _SG2    35     1.82921   111.17544   -64.16451
   30    27 S   CT   _CA3    26     1.45289   123.21837   177.14796
   31    30 S   HC   HA31    27     1.09549   107.50525   -64.72093
   32    30 S   HC   HA32    28     1.09556   107.99262    51.72118
   33    29 S   CT   _C13    36     1.87829   102.47271  -169.03709
   34    30 S   CO3  _C3_    29     1.52963   114.07264   173.72043
   35    34 S   O2Z  _O31    30     1.26377   116.06622    -0.74230
   36    34 S   O2Z  _O32    31     1.26428   114.41342   179.32074
   37    33 S   CO4  _C7_    37     1.54148   103.26965  -173.07975
   38    37 S   O    _O19    38     1.23164   122.29482    94.75002
   39    33 S   CT   _C18    52     1.55154   109.64328   -54.53121
   40    39 S   HC   _H39    53     1.09350   110.37281    62.52023
   41    39 S   HC   _H40    54     1.09910   109.93196   -53.17800
   42    37 S   CM   _C5_    39     1.49805   118.35962   -81.82259
   43    39 S   CM   _C8_    55     1.51060   115.00224  -173.32450
   44    43 S   HC   _H23    56     1.08972   114.09581    78.25292
   45    42 S   CM   _C4_    40     1.33660   121.11590   -13.03157
   46    45 S   HC   _H22    41     1.08466   121.17994   179.89347
   47    42 S   OS   _O20    47     1.38381   118.66241   169.59665
   48    43 S   CM   _C10    57     1.34806   128.27268  -103.50614
   49    45 S   CO4  _C6_    42     1.47693   121.87223    -1.07465
   50    49 S   O    _O18    43     1.22892   119.83277   173.03255
   51    47 S   CT   _C17    48     1.42668   110.96940   -75.38620
   52    51 S   HC   _H36    49     1.09400   107.86319  -175.29044
   53    51 S   HC   _H37    50     1.09440   111.50633    66.29969
   54    51 S   HC   _H38    51     1.09566   110.99873   -57.03581
   55    48 S   CT   _C14    58     1.50426   124.89261     1.68226
   56    55 S   HC   _H27    59     1.09431   110.48044   121.93905
   57    55 S   HC   _H28    60     1.09489   110.07112  -118.44351
   58    55 S   HC   _H29    61     1.09194   113.56326     2.12025
   59    48 S   CT   _C20    62     1.51828   119.83103  -177.10119
   60    59 S   HC   _H43    63     1.09788   108.39169   131.09821
   61    59 S   HC   _H44    64     1.09848   110.46648    16.30619
   62    33 S   CT   _C12    44     1.53379   111.10929    69.21996
   63    62 S   HC   _H25    45     1.09433   111.63925   -56.91393
   64    62 S   HC   _H26    46     1.09557   110.77302  -175.59838
   65    59 S   CT   _C19    65     1.53514   114.43060  -107.27027
   66    65 S   HC   _H41    66     1.09262   110.16361   -59.55699
   67    65 S   HC   _H42    67     1.09764   108.03766  -174.40416
   68    65 S   CM   _C9_    68     1.50482   112.76252    67.25874
   69    68 S   HC   _H24    69     1.08993   113.88090    59.94191
   70    68 S   CM   _C11    70     1.34672   128.30076  -121.43941
   71    70 S   CT   _C15    71     1.50610   120.28214  -178.66206
   72    71 S   HC   _H30    72     1.09494   110.17470   118.42262
   73    71 S   HC   _H31    73     1.09506   112.47282    -1.76802
   74    71 S   HC   _H32    74     1.09419   110.32468  -121.87447
   75    70 S   CT   _C16    75     1.50254   125.51523     1.11452
   76    75 S   HC   _H33    76     1.09521   110.11535   125.59758
   77    75 S   HC   _H34    77     1.09497   110.00372  -115.25773
   78    75 S   HC   _H35    78     1.09136   113.72394     5.63002
  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  12   5   4   3
  16   2   1   1  14   5  12   5   4  10  11   3   8   4   5  11
   4   3   3   2   1   1   7   3   2   1   8   5   4   2   1   1
   7   4   3  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    49    62    63    64    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    49    50    62    63    64    47    39    40    41    43    44    48  
   35    36  
   36  
    0  
   38    42    45    46    49    62    63    64    47    51    39    40    41    43  
   42    45    62    47    39  
   40    41    43    44    48    55    59    42    49    62    63    64  
   41    43    44    48    62  
   43    44    48    62  
   45    46    49    50    62    47    51    52    53    54  
   44    48    55    56    57    58    59    60    61    65    62  
   48    55    59  
   46    49    50    62    63    64    47    51  
   49    50    62    47  
   51    52    53    54    49  
   55    56    57    58    59    60    61    65    66    67    68  
   50    62    63    64  
   62    63    64  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    65  
   57    58    59  
   58    59  
   59  
   60    61    65    66    67    68    69    70  
   61    65    66    67    68  
   65    66    67    68  
   63    64  
   64  
    0  
   66    67    68    69    70    71    75  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75    76    77    78  
   70    71    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    62   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    45   549.000  1.340
   42    47   440.000  1.360
   45    46   340.000  1.080
   45    49   320.000  1.462
   49    50   570.000  1.229
   49    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   47    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.510
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    55   317.000  1.510
   48    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   317.000  1.510
   70    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    62    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    62    49    63.00000  111.10000
   33    62    63    37.50000  110.70000
   33    62    64    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    70.00000  112.02700
   37    42    45    65.00000  118.96000
   37    42    47    85.00000  116.28000
   42    37    38    80.00000  123.72100
   42    45    46    35.00000  120.00000
   42    45    49    65.00000  118.96000
   42    47    51    90.00000  111.18400
   45    49    50    80.00000  123.72100
   45    49    62    65.00000  118.62400
   49    45    46    40.00000  117.72500
   49    62    63    35.00000  109.50000
   49    62    64    35.00000  109.50000
   62    33    37    63.00000  111.10000
   62    49    50    80.00000  120.40000
   64    62    63    33.00000  107.80000
   47    42    45    80.00000  120.01400
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    62    58.35000  112.70000
   39    43    44    35.00000  117.00000
   39    43    48    70.00000  124.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    48    55    70.00000  124.00000
   43    48    59    70.00000  124.00000
   48    43    44    35.00000  120.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   48    59    60    35.00000  109.50000
   48    59    61    35.00000  109.50000
   48    59    65    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    65.00000  117.92700
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    70.00000  112.02700
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    68    69    35.00000  117.00000
   65    68    70    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    70.00000  124.00000
   68    70    75    70.00000  124.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    62    49   0.56750  1.0 1.0
   29    33    62    49  -0.07550 -1.0 2.0
   29    33    62    49   0.20000  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    64   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    42    45  -0.33500  1.0 1.0
   33    37    42    45   1.06600 -1.0 2.0
   33    37    42    45  -0.14000  1.0 3.0
   33    37    42    47   0.32450 -1.0 2.0
   33    37    42    47   0.17400  1.0 3.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    43    48   0.09850  1.0 1.0
   33    39    43    48   0.15250 -1.0 2.0
   33    39    43    48  -0.50650  1.0 3.0
   37    33    62    49   0.11950  1.0 1.0
   37    33    62    49   0.20300 -1.0 2.0
   37    33    62    49  -0.70800  1.0 3.0
   37    33    62    63  -0.11250  1.0 3.0
   37    33    62    64  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.98800  1.0 1.0
   37    33    39    43   0.48800 -1.0 2.0
   37    33    39    43   0.76800  1.0 3.0
   37    42    45    46   7.00000 -1.0 2.0
   37    42   -45    49   7.00000 -1.0 2.0
   37    42    47    51   0.15100 -1.0 2.0
   38    37    42    45   1.00000 -1.0 2.0
   38    37    42    47  -0.11900  1.0 1.0
   38    37    42    47   0.76850 -1.0 2.0
   38    37    42    47   0.14100  1.0 3.0
   42    45    49    50   1.00000 -1.0 2.0
   42    45    49    62  -0.33500  1.0 1.0
   42    45    49    62   1.06600 -1.0 2.0
   42    45    49    62  -0.14000  1.0 3.0
   42    47    51    52   0.08050  1.0 3.0
   42    47    51    53   0.08050  1.0 3.0
   42    47    51    54   0.08050  1.0 3.0
   45    42    47    51  -2.26850  1.0 1.0
   45    42    47    51   3.39050 -1.0 2.0
   45    49   -62    33   0.65300  1.0 1.0
   45    49   -62    33  -0.03850 -1.0 2.0
   45    49   -62    33   0.33900  1.0 3.0
   45    49    62    63   0.00000  1.0 1.0
   45    49    62    64   0.00000  1.0 1.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    62   0.04550  1.0 1.0
   46    45    49    62   0.83000 -1.0 2.0
   46    45    49    62  -0.04000  1.0 3.0
   50    49    62    33   0.30150 -1.0 2.0
   50    49    62    63   0.00000  1.0 1.0
   50    49    62    64   0.00000  1.0 1.0
   62    33    37    38   0.30150 -1.0 2.0
   62    33   -37    42   0.65300  1.0 1.0
   62    33   -37    42  -0.03850 -1.0 2.0
   62    33   -37    42   0.33900  1.0 3.0
   62    33    39    40   0.15000  1.0 3.0
   62    33    39    41   0.15000  1.0 3.0
   62    33    39    43   0.34400  1.0 1.0
   62    33    39    43   0.09450 -1.0 2.0
   62    33    39    43   0.11100  1.0 3.0
   47    42    45    46   7.00000 -1.0 2.0
   47    42    45    49   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    62    49  -0.95700  1.0 1.0
   39    33    62    49  -0.18200 -1.0 2.0
   39    33    62    49   0.29450  1.0 3.0
   39    33    62    63   0.15000  1.0 3.0
   39    33    62    64   0.15000  1.0 3.0
   39    43    48    55   7.00000 -1.0 2.0
   39    43    48    59   7.00000 -1.0 2.0
   40    39    43    44   0.33100  1.0 3.0
   40    39    43    48   0.00000  1.0 1.0
   41    39    43    44   0.33100  1.0 3.0
   41    39    43    48   0.00000  1.0 1.0
   43    48    55    56   0.00000  1.0 1.0
   43    48    55    57   0.00000  1.0 1.0
   43    48    55    58   0.00000  1.0 1.0
   43    48    59    60   0.00000  1.0 1.0
   43    48    59    61   0.00000  1.0 1.0
   43    48    59    65   0.09850  1.0 1.0
   43    48    59    65   0.15250 -1.0 2.0
   43    48    59    65  -0.50650  1.0 3.0
   44    43    48    55   7.00000 -1.0 2.0
   44    43    48    59   7.00000 -1.0 2.0
   48    59    65    66   0.15000  1.0 3.0
   48    59    65    67   0.15000  1.0 3.0
   48    59    65    68   0.31000  1.0 1.0
   48    59    65    68   0.14700 -1.0 2.0
   48    59    65    68   0.07550  1.0 3.0
   55    48    59    60   0.34800  1.0 3.0
   55    48    59    61   0.34800  1.0 3.0
   55    48    59    65   0.46850  1.0 1.0
   55    48    59    65   0.08550 -1.0 2.0
   55    48    59    65   0.09800  1.0 3.0
   59    48    55    56   0.34800  1.0 3.0
   59    48    55    57   0.34800  1.0 3.0
   59    48    55    58   0.34800  1.0 3.0
   59    65    68    69   0.00000  1.0 1.0
   59    65    68    70   0.09850  1.0 1.0
   59    65    68    70   0.15250 -1.0 2.0
   59    65    68    70  -0.50650  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  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
   65    68    70    71   7.00000 -1.0 2.0
   65    68    70    75   7.00000 -1.0 2.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.33100  1.0 3.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    71    72   0.00000  1.0 1.0
   68    70    71    73   0.00000  1.0 1.0
   68    70    71    74   0.00000  1.0 1.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    78   0.00000  1.0 1.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    75   7.00000 -1.0 2.0
   71    70    75    76   0.34800  1.0 3.0
   71    70    75    77   0.34800  1.0 3.0
   71    70    75    78   0.34800  1.0 3.0
   75    70    71    72   0.34800  1.0 3.0
   75    70    71    73   0.34800  1.0 3.0
   75    70    71    74   0.34800  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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   37    47    42    45   1.10000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   45    62    49    50  10.50000 -1.0 2.0
   39    44    43    48  15.00000 -1.0 2.0
   55    59    48    43  15.00000 -1.0 2.0
   65    69    68    70  15.00000 -1.0 2.0
   71    75    70    68  15.00000 -1.0 2.0
END
