* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    202     382
    1     0 S   NP   _N1_     1    28.88885    94.16255   -19.98274
    2     1 S   H    _HN1     2     1.02959    97.51156    34.58591
    3     1 S   H    _H1_     3     1.02837    31.07008   145.31568
    4     1 S   H    _H2_     4     1.02779    83.65449   -73.12553
    5     1 S   CT   _CA1     5     1.50113   140.05395   169.47168
    6     5 S   HC   _HA1     6     1.09568   105.26960    46.15330
    7     5 S   CO3  _C1_     7     1.53837   112.32623   -74.15701
    8     7 S   O2Z  _O11     8     1.26354   115.00293   -44.17831
    9     7 S   O2Z  _O12     9     1.26243   114.91330   134.98517
   10     5 S   CT   _CB1    10     1.53080   107.42970   164.14863
   11    10 S   HC   HB11    11     1.09818   109.49057   -49.77642
   12    10 S   HC   HB12    12     1.09832   110.33308    66.81237
   13    10 S   CT   _CG1    13     1.53005   112.65045  -170.89303
   14    13 S   HC   HG11    14     1.09504   110.30219   -59.79854
   15    13 S   HC   HG12    15     1.09619   110.19707    59.37499
   16    13 S   C    _CD1    16     1.51760   112.11797   179.65395
   17    16 S   O    _OE1    17     1.22740   123.14451   -12.02936
   18    16 S   N    _N2_    18     1.38612   111.76239   168.46881
   19    18 S   H    _HN2    19     1.01586   119.07977     1.52303
   20    18 S   CT1  _CA2    20     1.46246   123.29244  -176.89606
   21    20 S   HC   _HA2    21     1.09729   109.37422   -14.45158
   22    20 S   C    _C2_    22     1.53354   108.40824  -130.31980
   23    22 S   O    _O2_    23     1.23008   122.23357  -145.80248
   24    20 S   CT   _CB2    32     1.53550   111.23024   107.53039
   25    24 S   HC   HB21    33     1.09411   109.29723    57.59179
   26    24 S   HC   HB22    34     1.09510   110.38462   175.80353
   27    22 S   N    _N3_    24     1.38506   113.34659    41.54743
   28    27 S   H    _HN3    25     1.01530   118.91832    -0.51738
   29    24 S   S    _SG2    35     1.83155   111.34784   -65.09140
   30    27 S   CT   _CA3    26     1.45448   123.41533   175.10151
   31    30 S   HC   HA31    27     1.09525   109.19931    25.02514
   32    30 S   HC   HA32    28     1.09494   107.12779   142.02940
   33    29 S   CT   _C17    36     1.87839   101.99304   148.79644
   34    30 S   CO3  _C3_    29     1.52931   113.15711   -98.42245
   35    34 S   O2Z  _O31    30     1.26399   115.42688   -43.72654
   36    34 S   O2Z  _O32    31     1.26358   114.96680   137.21615
   37    33 S   CT   _C16    37     1.54125   108.80468    62.16990
   38    37 S   HC   _H9_    38     1.09610   111.45945   -53.67469
   39    37 S   HC   _H10    39     1.09699   111.19638  -171.39864
   40    33 S   CO4  _C18    67     1.54003   108.38258   -56.65279
   41    40 S   O    _O36    68     1.22618   123.83113   128.65694
   42    37 S   CO4  _C15    40     1.51070   112.98651    68.77669
   43    42 S   O    _O35    41     1.23006   121.51286  -151.79038
   44    40 S   OS   _O37    69     1.36470   111.72585   -52.04158
   45    42 S   CM   _C14    42     1.48227   118.95804    31.19931
   46    45 S   HC   _H8_    43     1.08314   115.36085   175.65075
   47    44 S   CT   _C19    70     1.43061   115.75845  -176.47213
   48    47 S   HC   _H11    71     1.09289   108.05388   171.57811
   49    47 S   HC   _H12    72     1.09438   110.71357    52.98012
   50    47 S   HC   _H13    73     1.09375   109.86602   -69.76330
   51    45 S   CM   _C13    44     1.34497   121.34868    -3.34053
   52    33 S   CT   _C11    45     1.56533   109.79190  -177.98656
   53    51 S   OS   _O38    62     1.38503   124.78360   178.49963
   54    52 S   CO4  _C12    46     1.52813   112.52788   165.48637
   55    54 S   O    _O34    47     1.21795   126.46512    64.17510
   56    52 S   OS   _O33    57     1.45696   109.98470    49.88433
   57    53 S   CT   _C20    63     1.42181   118.25144    -0.79081
   58    57 S   HC   _H14    64     1.09406   107.86235  -179.57433
   59    57 S   HC   _H15    65     1.09475   110.98214    62.47964
   60    57 S   HC   _H16    66     1.09478   111.00262   -61.60852
   61    54 S   CA   _C8_    48     1.45418   108.07350  -116.17422
   62    61 S   CA   _C7_    49     1.40052   130.70353   177.77736
   63    62 S   OM   _O39    50     1.27618   125.14389     0.69858
   64    62 S   CA   _C6_    51     1.41702   112.32840  -179.17055
   65    64 S   HA   _H6_    52     1.09286   118.31661  -179.81548
   66    64 S   CA   _C5_    53     1.41835   124.18393     0.42887
   67    66 S   CA   _C10    54     1.39405   119.58478    -1.13367
   68    67 S   HA   _H7_    55     1.08476   121.44998  -179.56614
   69    66 S   CT   _C4_    58     1.49983   119.75507  -179.18843
   70    69 S   HC   _H3_    59     1.09437   109.98441    76.66048
   71    69 S   HC   _H4_    60     1.09491   111.31415  -163.09065
   72    69 S   HC   _H5_    61     1.09497   110.52583   -43.90677
   73    61 S   CA   _C9_    56     1.38679   104.49926    -1.78958
  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
  18   2   1   1  13   6   5  11   3   6   3   5   7   3   3   2
   1   1  11   9   6   8   4   6   3   2   1   1   8   7   4   9
   3   7   6   2   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    52    54    56    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    45    51    52    54    55    61    73    56    53    40    41    44    47  
   35    36  
   36  
    0  
   38    39    42    43    45    46    51    52    54    56    40    41    44  
   39    42    43    45    52    40  
   42    43    45    52    40  
   41    44    47    48    49    50    42    51    52    54    56  
   44    47    52  
   43    45    46    51    52    53  
   45    46    51  
   47    48    49    50    52  
   46    51    52    54    56    53    57  
   51    52    53  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    61    73    56    53    57    58    59    60  
   54    55    61    62    67    73    56    53    57  
   57    58    59    60    54    56  
   55    61    62    63    64    67    73    56  
   61    62    73    56  
   61    62    66    67    68    73  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    73  
   63    64    65    66    67    73    69  
   64    65    66    73  
   65    66    67    68    73    69    70    71    72  
   66    67    69  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   70    71    72    73  
   71    72  
   72  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   317.000  1.522
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    45   320.000  1.462
   45    46   340.000  1.080
   45    51   549.000  1.340
   51    52   317.000  1.510
   51    53   440.000  1.360
   52    54   317.000  1.522
   52    56   320.000  1.410
   54    55   570.000  1.229
   54    61   310.000  1.470
   61    62   469.000  1.400
   61    73   469.000  1.400
   62    63   450.000  1.364
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    56   450.000  1.364
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   53    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  110.18000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    52    51    70.00000  112.02700
   33    52    54    63.00000  111.10000
   33    52    56    50.00000  109.50000
   33    40    41    80.00000  120.40000
   33    40    44    81.00000  111.40000
   37    42    43    80.00000  120.40000
   37    42    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    40.00000  117.72500
   42    45    51    65.00000  118.96000
   45    42    43    80.00000  123.72100
   45    51    52    70.00000  124.00000
   45    51    53    80.00000  120.01400
   51    45    46    35.00000  120.00000
   51    52    54    70.00000  109.06800
   51    52    56    85.00000  110.90400
   51    53    57    90.00000  111.18400
   52    33    37    58.35000  112.70000
   52    54    55    80.00000  120.40000
   52    54    61    65.00000  115.47100
   52    56    73    75.00000  111.00000
   54    61    62    60.00000  119.52600
   54    61    73    60.00000  119.52600
   61    54    55    75.00000  123.78400
   61    62    63    70.00000  120.00000
   61    62    64    63.00000  120.00000
   61    73    67    63.00000  120.00000
   61    73    56    70.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    70.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    69    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    73    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    56    70.00000  120.00000
   73    61    62    63.00000  120.00000
   73    67    68    35.00000  120.00000
   56    52    54    90.00000  108.74100
   69    66    67    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   53    51    52    85.00000  112.85300
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   40    33    37    63.00000  111.10000
   40    33    52    63.00000  111.10000
   40    44    47    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    52    51   0.56750  1.0 1.0
   29    33    52    51  -0.07550 -1.0 2.0
   29    33    52    51   0.20000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.40000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    45   0.65300  1.0 1.0
   33    37    42    45  -0.03850 -1.0 2.0
   33    37    42    45   0.33900  1.0 3.0
   33    52    54    55   0.30150 -1.0 2.0
   33    52    54    61   0.05850 -1.0 2.0
   33    52    54    61   0.17250  1.0 3.0
   33    52    56    73  -0.32850  1.0 1.0
   33    52    56    73  -0.35800 -1.0 2.0
   33    52    56    73   0.33950  1.0 3.0
   33    40    44    47   1.63150  1.0 1.0
   33    40    44    47   2.92000 -1.0 2.0
   37    33    52    51   0.34400  1.0 1.0
   37    33    52    51   0.09450 -1.0 2.0
   37    33    52    51   0.11100  1.0 3.0
   37    33    52    54  -0.95700  1.0 1.0
   37    33    52    54  -0.18200 -1.0 2.0
   37    33    52    54   0.29450  1.0 3.0
   37    33    52    56   0.62750  1.0 1.0
   37    33    52    56  -0.30950 -1.0 2.0
   37    33    52    56   0.27300  1.0 3.0
   37    33    40    41   0.30150 -1.0 2.0
   37    33    40    44   0.36750  1.0 3.0
   37    42    45    46   0.04550  1.0 1.0
   37    42    45    46   0.83000 -1.0 2.0
   37    42    45    46  -0.04000  1.0 3.0
   37    42   -45    51  -0.33500  1.0 1.0
   37    42   -45    51   1.06600 -1.0 2.0
   37    42   -45    51  -0.14000  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    45   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    45   0.00000  1.0 1.0
   42    45    51    52   7.00000 -1.0 2.0
   42    45    51    53   7.00000 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    51   1.00000 -1.0 2.0
   45    51   -52    33   0.09850  1.0 1.0
   45    51   -52    33   0.15250 -1.0 2.0
   45    51   -52    33  -0.50650  1.0 3.0
   45    51    52    54  -0.51250  1.0 1.0
   45    51    52    54  -0.88800 -1.0 2.0
   45    51    52    54   0.08850  1.0 3.0
   45    51    52    56   0.39000  1.0 1.0
   45    51    52    56  -0.05800 -1.0 2.0
   45    51    52    56  -0.55150  1.0 3.0
   45    51    53    57  -2.26850  1.0 1.0
   45    51    53    57   3.39050 -1.0 2.0
   46    45    51    52   7.00000 -1.0 2.0
   46    45    51    53   7.00000 -1.0 2.0
   51    52    54    55   0.30150 -1.0 2.0
   51    52    54    61   0.65300  1.0 1.0
   51    52    54    61  -0.03850 -1.0 2.0
   51    52    54    61   0.33900  1.0 3.0
   51    52    56    73  -0.25600  1.0 1.0
   51    52    56    73  -0.40050 -1.0 2.0
   51    52    56    73   0.34700  1.0 3.0
   51    53    57    58   0.08050  1.0 3.0
   51    53    57    59   0.08050  1.0 3.0
   51    53    57    60   0.08050  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    42  -0.95700  1.0 1.0
   52    33   -37    42  -0.18200 -1.0 2.0
   52    33   -37    42   0.29450  1.0 3.0
   52    33    40    41   0.30150 -1.0 2.0
   52    33    40    44   0.36750  1.0 3.0
   52    51    53    57   2.00000 -1.0 2.0
   52    54    61    62   2.26350  1.0 1.0
   52    54    61    62   0.76750 -1.0 2.0
   52    54    61    62   0.22500  1.0 3.0
   52    54   -61    73   2.26350  1.0 1.0
   52    54   -61    73   0.76750 -1.0 2.0
   52    54   -61    73   0.22500  1.0 3.0
   54    52   -56    73  -0.25600  1.0 1.0
   54    52   -56    73  -0.40050 -1.0 2.0
   54    52   -56    73   0.34700  1.0 3.0
   54    61    62    63   3.62500 -1.0 2.0
   54    61    62    64   3.62500 -1.0 2.0
   54    61    73    67   3.62500 -1.0 2.0
   54    61   -73    56   3.62500 -1.0 2.0
   55    54    61    62   1.05000 -1.0 2.0
   55    54    61    73   1.05000 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    66   3.62500 -1.0 2.0
   61    73   -56    52   1.63200 -1.0 2.0
   62    61    73    67   3.62500 -1.0 2.0
   62    61    73    56   3.62500 -1.0 2.0
   62    64   -66    67   3.62500 -1.0 2.0
   62    64    66    69   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    73   3.62500 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71   0.00000  1.0 1.0
   64    66    69    72   0.00000  1.0 1.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    69   3.62500 -1.0 2.0
   66    67   -73    61   3.62500 -1.0 2.0
   66    67    73    56   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   67    73    56    52   1.63200 -1.0 2.0
   68    67    73    61   3.62500 -1.0 2.0
   68    67    73    56   3.62500 -1.0 2.0
   73    61    62    63   3.62500 -1.0 2.0
   73    61   -62    64   3.62500 -1.0 2.0
   56    52    54    55   0.30150 -1.0 2.0
   56    52   -54    61   0.65300  1.0 1.0
   56    52   -54    61  -0.03850 -1.0 2.0
   56    52   -54    61   0.33900  1.0 3.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    73   3.62500 -1.0 2.0
   53    51    52    33   0.09700  1.0 1.0
   53    51    52    33   0.15600 -1.0 2.0
   53    51    52    33  -0.50800  1.0 3.0
   53    51    52    54   0.09700  1.0 1.0
   53    51    52    54   0.15600 -1.0 2.0
   53    51    52    54  -0.50800  1.0 3.0
   53    51    52    56   0.09700  1.0 1.0
   53    51    52    56   0.15600 -1.0 2.0
   53    51    52    56  -0.50800  1.0 3.0
   40    33    37    38  -0.11250  1.0 3.0
   40    33    37    39  -0.11250  1.0 3.0
   40    33    37    42   0.11950  1.0 1.0
   40    33    37    42   0.20300 -1.0 2.0
   40    33    37    42  -0.70800  1.0 3.0
   40    33    52    51  -0.98800  1.0 1.0
   40    33    52    51   0.48800 -1.0 2.0
   40    33    52    51   0.76800  1.0 3.0
   40    33    52    54   0.11950  1.0 1.0
   40    33    52    54   0.20300 -1.0 2.0
   40    33    52    54  -0.70800  1.0 3.0
   40    33    52    56  -0.09450  1.0 1.0
   40    33    52    56  -1.12950 -1.0 2.0
   40    33    52    56   0.54000  1.0 3.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    49   0.08050  1.0 3.0
   40    44    47    50   0.08050  1.0 3.0
   41    40    44    47   3.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
   42    46    45    51   1.10000 -1.0 2.0
   52    53    51    45   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
   62    73    61    54   4.00000 -1.0 2.0
   64    63    62    61   4.00000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    69    66    64   4.00000 -1.0 2.0
   73    68    67    66   1.10000 -1.0 2.0
   67    56    73    61   4.00000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
END
