* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    197     391
    1     0 S   NP   _N1_     1    28.90420    94.24979   -19.66216
    2     1 S   H    _HN1     2     1.02786    84.65144   -64.27608
    3     1 S   H    _H1_     3     1.02959    97.68787    43.47653
    4     1 S   H    _H2_     4     1.02840    29.95227   154.53081
    5     1 S   CT   _CA1     5     1.50093   139.14641   177.59784
    6     5 S   HC   _HA1     6     1.09591   105.19992    47.01290
    7     5 S   CO3  _C1_     7     1.53601   112.44699   -72.97950
    8     7 S   O2Z  _O11     8     1.26391   115.18054   -46.32881
    9     7 S   O2Z  _O12     9     1.26239   114.85007   133.05698
   10     5 S   CT   _CB1    10     1.53070   107.43720   164.59711
   11    10 S   HC   HB11    11     1.09811   108.87888   -53.71848
   12    10 S   HC   HB12    12     1.09827   110.53306    62.60188
   13    10 S   CT   _CG1    13     1.53092   112.91505  -175.13148
   14    13 S   HC   HG11    14     1.09634   110.17036   -67.12326
   15    13 S   HC   HG12    15     1.09637   110.22314    52.08777
   16    13 S   C    _CD1    16     1.51865   112.15661   171.93433
   17    16 S   O    _OE1    17     1.22761   123.09604   -12.15176
   18    16 S   N    _N2_    18     1.38615   111.91435   168.88536
   19    18 S   H    _HN2    19     1.01599   119.07017    -0.36208
   20    18 S   CT1  _CA2    20     1.46348   123.28281  -179.45142
   21    20 S   HC   _HA2    21     1.09738   109.26459   -16.77129
   22    20 S   C    _C2_    22     1.53393   108.24952  -132.44347
   23    22 S   O    _O2_    23     1.23006   122.28539  -145.73391
   24    20 S   CT   _CB2    32     1.53512   111.52943   105.36195
   25    24 S   HC   HB21    33     1.09368   109.40765    56.51174
   26    24 S   HC   HB22    34     1.09516   110.61314   174.82309
   27    22 S   N    _N3_    24     1.38526   113.31382    41.61134
   28    27 S   H    _HN3    25     1.01531   118.91490    -0.48698
   29    24 S   S    _SG2    35     1.82760   111.51238   -65.89942
   30    27 S   CT   _CA3    26     1.45444   123.40818   175.15697
   31    30 S   HC   HA31    27     1.09526   109.18358    25.32217
   32    30 S   HC   HA32    28     1.09494   107.13202   142.31791
   33    29 S   CT   _C11    36     1.85775   100.47352   159.63573
   34    33 S   HC   _H8_    37     1.09737   106.69372    41.25935
   35    30 S   CO3  _C3_    29     1.52928   113.16311   -98.11805
   36    35 S   O2Z  _O31    30     1.26400   115.43412   -43.88538
   37    35 S   O2Z  _O32    31     1.26360   114.96462   137.06466
   38    33 S   CT   _C10    38     1.54188   108.91315   -75.56692
   39    38 S   HC   _H11    39     1.09560   110.01529   177.32087
   40    38 S   HC   _H12    40     1.09481   110.56647    60.08946
   41    33 S   CT   _C12    64     1.56465   109.90237   158.92368
   42    38 S   OS1  _O34    41     1.42658   111.06571   -61.65377
   43    41 S   CZ   _C14    65     1.48382   110.52004   -63.10465
   44    43 S   NZ   _N4_    66     1.16086   179.85463  -156.67261
   45    41 S   CT   _C13    67     1.54196   112.72778   175.95470
   46    45 S   HC   _H13    68     1.09737   110.91596   171.28814
   47    45 S   HC   _H14    69     1.09610   110.94331   -70.75618
   48    41 S   OH   _O36    72     1.43285   111.07017    57.50881
   49    48 S   HO   _H16    73     0.97377   107.52168   -41.73601
   50    42 S   CO1  _C9_    42     1.43292   112.59314  -178.89005
   51    50 S   HC   _H7_    43     1.09832   108.03587    56.38430
   52    45 S   OH   _O35    70     1.42123   111.31830    50.31695
   53    52 S   HO   _H15    71     0.97283   107.12143   178.46036
   54    50 S   CT   _C8_    44     1.53244   107.55885   175.59740
   55    54 S   HC   _H6_    45     1.09647   109.88565    53.71963
   56    54 S   CT   _C7_    46     1.53136   111.13524   175.79756
   57    56 S   HC   _H5_    47     1.09667   110.07450    74.90019
   58    54 S   OH5  _O37    62     1.42983   109.94734   -62.92149
   59    58 S   HO   _H17    63     0.97204   108.21121   -61.75733
   60    56 S   CT   _C6_    48     1.53214   111.89510   -47.86163
   61    60 S   HC   _H4_    49     1.09419   109.13112   -73.84674
   62    56 S   OH5  _O38    60     1.42999   109.47644  -169.45895
   63    62 S   HO   _H18    61     0.97647   107.95648    62.47335
   64    60 S   CT   _C5_    50     1.53161   111.31663    47.39401
   65    64 S   HC   _H3_    51     1.09826   110.99059    66.26199
   66    60 S   OH5  _O39    58     1.42700   109.66968   169.48532
   67    66 S   HO   _H19    59     0.97227   108.20774   -57.59231
   68    50 S   OS1  _O33    52     1.42820   111.08471   -64.64660
   69    64 S   CT   _C4_    53     1.52998   111.32619  -172.97627
   70    69 S   HC   _H9_    54     1.09519   110.98782    69.21270
   71    69 S   HC   _H10    55     1.09400   111.53683   -53.17648
   72    69 S   OH5  _O40    56     1.42529   109.05771  -172.17659
   73    72 S   HO   _H20    57     0.97247   106.93957  -178.83753
  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  11   4   3  10   8   7   2   6   4   3   2
   1  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9
   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    43    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    50    41    43    44    45    46    47    52    48    49  
   38    39    40    42    41    43    45    48  
   36    37  
   37  
    0  
   39    40    42    50    51    54    68    41    43    45    48  
   40    42    50    41  
   42    50    41  
   43    44    45    46    47    52    53    48    49    42  
   50    51    54    55    56    64    68    58  
   44    45    46    47    52    48    49  
   45    48  
   46    47    52    53    48    49  
   47    52    53    48  
   52    53    48  
   49    52  
    0  
   51    54    55    56    57    60    64    65    68    69    62    58    59  
   54    55    56    64    68    58  
   53  
    0  
   55    56    57    60    61    64    68    66    62    63    58    59  
   56    57    60    68    62    58    59  
   57    60    61    64    65    68    69    66    67    62    63    58    59  
   60    61    64    66    62    63    58  
   59    60    62    68  
    0  
   61    64    65    68    69    70    71    72    66    67    62    63  
   64    65    68    69    66    67    62  
   63    64    66  
    0  
   65    68    69    70    71    72    73    66    67  
   68    69    70    71    72    66  
   67    68    69  
    0  
   69    70    71    72  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.3000   0.0660   0.365000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   44   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   45   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   335.000  1.422
   42    50   370.000  1.399
   50    51   360.000  1.097
   50    54   255.000  1.525
   50    68   370.000  1.399
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   355.000  1.421
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   355.000  1.421
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    66   355.000  1.421
   64    65   340.000  1.090
   64    68   335.000  1.422
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   355.000  1.421
   72    73   580.000  0.967
   66    67   580.000  0.967
   62    63   580.000  0.967
   58    59   580.000  0.967
   41    43   390.000  1.470
   41    45   268.000  1.529
   41    48   320.000  1.410
   43    44   650.000  1.157
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   320.000  1.410
   52    53   553.000  0.945
   48    49   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    95.00000  107.88500
   33    41    43    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    50    90.00000  112.10700
   40    38    39    33.00000  107.80000
   42    38    39    55.00000  108.98800
   42    38    40    55.00000  108.98800
   42    50    51    60.00000  105.75400
   42    50    54    90.00000  109.70700
   42    50    68   110.00000  113.16000
   50    54    55    45.00000  109.54000
   50    54    56    70.00000  111.10000
   50    54    58    90.00000  109.42000
   50    68    64    90.00000  112.10700
   54    50    51    45.00000  111.65000
   54    56    57    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    56    62    90.00000  111.45300
   54    58    59    65.00000  108.53500
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    66    90.00000  111.45300
   56    62    63    65.00000  108.53500
   60    56    57    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    68    95.00000  107.88500
   60    64    69    58.35000  112.70000
   60    66    67    65.00000  108.53500
   64    60    61    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    90.00000  111.45300
   68    50    51    60.00000  105.75400
   68    50    54    90.00000  109.70700
   68    64    65    55.00000  108.98800
   69    64    65    37.50000  110.70000
   69    64    68    95.00000  107.88500
   69    72    73    65.00000  108.53500
   71    69    70    33.00000  107.80000
   72    69    70    60.00000  109.39000
   72    69    71    60.00000  109.39000
   66    60    61    60.00000  109.39000
   66    60    64    90.00000  111.45300
   62    56    57    60.00000  109.39000
   62    56    60    90.00000  111.45300
   58    54    55    60.00000  109.39000
   58    54    56    90.00000  111.45300
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44   150.00000  180.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    50.00000  109.50000
   41    48    49    55.00000  108.50000
   45    41    43    58.35000  112.70000
   45    52    53    55.00000  108.50000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   48    41    43    90.00000  111.78800
   48    41    45    50.00000  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    43   0.56750  1.0 1.0
   29    33    41    43  -0.07550 -1.0 2.0
   29    33    41    43   0.20000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    42    50   0.06250  1.0 1.0
   33    38    42    50  -0.01100 -1.0 2.0
   33    38    42    50   0.28050  1.0 3.0
   33    41    43    44   0.00000  1.0 1.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    52   0.86500  1.0 1.0
   33    41    45    52  -0.17500 -1.0 2.0
   33    41    45    52   0.20800  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    43  -0.74000  1.0 1.0
   38    33    41    43   0.24050 -1.0 2.0
   38    33    41    43   0.24650  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    42    50    51   0.37050  1.0 3.0
   38    42    50    54   0.06250  1.0 1.0
   38    42    50    54  -0.01100 -1.0 2.0
   38    42    50    54   0.28050  1.0 3.0
   38    42    50    68  -0.12700  1.0 1.0
   38    42    50    68  -1.16200 -1.0 2.0
   38    42    50    68   0.58800  1.0 3.0
   39    38    42    50   0.37050  1.0 3.0
   40    38    42    50   0.37050  1.0 3.0
   42    50    54    55   0.23400  1.0 3.0
   42    50    54    56   0.62750  1.0 1.0
   42    50    54    56  -0.30950 -1.0 2.0
   42    50    54    56   0.27300  1.0 3.0
   42    50    54    58   1.51850  1.0 1.0
   42    50    68    64  -0.70400  1.0 1.0
   42    50    68    64  -0.90350 -1.0 2.0
   50    54    56    57   0.15000  1.0 3.0
   50    54    56    60   0.56750  1.0 1.0
   50    54    56    60  -0.07550 -1.0 2.0
   50    54    56    60   0.20000  1.0 3.0
   50    54    56    62  -0.47750  1.0 1.0
   50    54    58    59   0.29150  1.0 1.0
   50    54    58    59  -0.28350 -1.0 2.0
   50    54    58    59   0.43600  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    58   0.23400  1.0 3.0
   51    50    68    64   0.37050  1.0 3.0
   54    50    68    64   0.06250  1.0 1.0
   54    50    68    64  -0.01100 -1.0 2.0
   54    50    68    64   0.28050  1.0 3.0
   54    56    60    61   0.15000  1.0 3.0
   54    56   -60    64   0.56750  1.0 1.0
   54    56   -60    64  -0.07550 -1.0 2.0
   54    56   -60    64   0.20000  1.0 3.0
   54    56    60    66  -0.47750  1.0 1.0
   54    56    62    63   0.29150  1.0 1.0
   54    56    62    63  -0.28350 -1.0 2.0
   54    56    62    63   0.43600  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    56    62   0.23400  1.0 3.0
   55    54    58    59   0.19450  1.0 3.0
   56    54    58    59   0.29150  1.0 1.0
   56    54    58    59  -0.28350 -1.0 2.0
   56    54    58    59   0.43600  1.0 3.0
   56    60    64    65   0.15000  1.0 3.0
   56    60    64    68   0.62750  1.0 1.0
   56    60    64    68  -0.30950 -1.0 2.0
   56    60    64    68   0.27300  1.0 3.0
   56    60    64    69   0.56750  1.0 1.0
   56    60    64    69  -0.07550 -1.0 2.0
   56    60    64    69   0.20000  1.0 3.0
   56    60    66    67   0.29150  1.0 1.0
   56    60    66    67  -0.28350 -1.0 2.0
   56    60    66    67   0.43600  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   57    56    60    66   0.23400  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   60    56    62    63   0.29150  1.0 1.0
   60    56    62    63  -0.28350 -1.0 2.0
   60    56    62    63   0.43600  1.0 3.0
   60    64   -68    50   0.06250  1.0 1.0
   60    64   -68    50  -0.01100 -1.0 2.0
   60    64   -68    50   0.28050  1.0 3.0
   60    64    69    70   0.15000  1.0 3.0
   60    64    69    71   0.15000  1.0 3.0
   60    64    69    72  -0.47750  1.0 1.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.23400  1.0 3.0
   61    60    64    69   0.15000  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67   0.29150  1.0 1.0
   64    60    66    67  -0.28350 -1.0 2.0
   64    60    66    67   0.43600  1.0 3.0
   64    69    72    73   0.29150  1.0 1.0
   64    69    72    73  -0.28350 -1.0 2.0
   64    69    72    73   0.43600  1.0 3.0
   65    64    68    50   0.37050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.23400  1.0 3.0
   68    50    54    55   0.23400  1.0 3.0
   68    50   -54    56   0.62750  1.0 1.0
   68    50   -54    56  -0.30950 -1.0 2.0
   68    50   -54    56   0.27300  1.0 3.0
   68    50    54    58   1.51850  1.0 1.0
   68    64    69    70   0.23400  1.0 3.0
   68    64    69    71   0.23400  1.0 3.0
   68    64    69    72   1.51850  1.0 1.0
   69    64    68    50   0.06250  1.0 1.0
   69    64    68    50  -0.01100 -1.0 2.0
   69    64    68    50   0.28050  1.0 3.0
   70    69    72    73   0.19450  1.0 3.0
   71    69    72    73   0.19450  1.0 3.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68   1.51850  1.0 1.0
   66    60    64    69  -0.47750  1.0 1.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    64  -0.47750  1.0 1.0
   62    56    60    66   3.77950  1.0 1.0
   58    54    56    57   0.23400  1.0 3.0
   58    54    56    60  -0.47750  1.0 1.0
   58    54    56    62   3.77950  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.62750  1.0 1.0
   41    33    38    42  -0.30950 -1.0 2.0
   41    33    38    42   0.27300  1.0 3.0
   41    45    52    53  -0.11600  1.0 1.0
   41    45    52    53  -0.09450 -1.0 2.0
   41    45    52    53   0.21250  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    52   0.56750  1.0 1.0
   43    41    45    52  -0.07550 -1.0 2.0
   43    41    45    52   0.20000  1.0 3.0
   43    41    48    49   0.35600  1.0 1.0
   43    41    48    49  -0.10750 -1.0 2.0
   43    41    48    49  -0.54400  1.0 3.0
   45    41    43    44   0.00000  1.0 1.0
   45    41    48    49  -0.11600  1.0 1.0
   45    41    48    49  -0.09450 -1.0 2.0
   45    41    48    49   0.21250  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   47    45    52    53   0.19450  1.0 3.0
   48    41    43    44   0.00000  1.0 1.0
   48    41    45    46   0.23400  1.0 3.0
   48    41    45    47   0.23400  1.0 3.0
   48    41    45    52   3.75450  1.0 1.0
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
END
