* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    232     430
    1     0 S   NP   _N1_     1    28.73755    95.02374   -23.50066
    2     1 S   H    _HN1     2     1.02783   105.40609   -87.74779
    3     1 S   H    _H1_     3     1.02951    79.59245    18.60703
    4     1 S   H    _H2_     4     1.02828    30.43976   173.03827
    5     1 S   CT   _CA1     5     1.50119   134.55757   127.04400
    6     5 S   HC   _HA1     6     1.09575   105.18994    82.14728
    7     5 S   CO3  _C1_     7     1.53779   112.44163   -38.04892
    8     7 S   O2Z  _O11     8     1.26368   115.00439   -42.88672
    9     7 S   O2Z  _O12     9     1.26240   114.93896   136.20354
   10     5 S   CT   _CB1    10     1.53078   107.41166  -159.91693
   11    10 S   HC   HB11    11     1.09832   109.32041   -50.08432
   12    10 S   HC   HB12    12     1.09813   110.46474    66.50326
   13    10 S   CT   _CG1    13     1.52992   112.63029  -171.09086
   14    13 S   HC   HG11    14     1.09584   110.60029   -66.05065
   15    13 S   HC   HG12    15     1.09671   109.81099    53.18068
   16    13 S   C    _CD1    16     1.51808   112.23856   173.57108
   17    16 S   O    _OE1    17     1.22733   123.29668     5.91550
   18    16 S   N    _N2_    18     1.38658   111.66956  -174.09611
   19    18 S   H    _HN2    19     1.01589   118.95252     1.40945
   20    18 S   CT1  _CA2    20     1.46189   123.35517   177.19704
   21    20 S   HC   _HA2    21     1.09745   109.36216     1.11347
   22    20 S   C    _C2_    22     1.53562   108.65092  -114.27383
   23    22 S   O    _O2_    23     1.23054   122.26539  -148.93890
   24    20 S   CT   _CB2    32     1.53543   111.65592   123.13573
   25    24 S   HC   HB21    33     1.09426   109.40114    55.77816
   26    24 S   HC   HB22    34     1.09302   109.43565   174.62014
   27    22 S   N    _N3_    24     1.38322   113.70647    38.59346
   28    27 S   H    _HN3    25     1.01590   119.56765    -3.50744
   29    24 S   S    _SG2    35     1.83145   110.91825   -65.06821
   30    27 S   CT   _CA3    26     1.45284   123.21212   177.07149
   31    30 S   HC   HA31    27     1.09549   107.52544   -64.21899
   32    30 S   HC   HA32    28     1.09556   107.96907    52.21891
   33    29 S   CT   _C15    36     1.88698   103.25748  -175.70892
   34    30 S   CO3  _C3_    29     1.52956   114.07324   174.20377
   35    34 S   O2Z  _O31    30     1.26377   116.06132    -0.60458
   36    34 S   O2Z  _O32    31     1.26428   114.41540   179.45035
   37    33 S   CT   _C10    37     1.55724   108.88578   -56.71873
   38    37 S   HC   _H27    38     1.09622   111.98240   -16.49157
   39    33 S   CT   _C13    58     1.56301   105.81781  -178.71382
   40    39 S   HC   _H30    59     1.09495   104.73292   171.39015
   41    37 S   CO4  _C7_    39     1.50782   103.08878    99.44617
   42    41 S   O    _O17    40     1.22215   125.54097  -163.64015
   43    39 S   OH   _O19    60     1.43160   110.92346    60.85165
   44    43 S   HO   _H39    61     0.97406   107.33971   -69.71655
   45    37 S   CT   _C18    70     1.53495   117.64105  -143.59116
   46    45 S   HC   _H37    71     1.09174   111.90289    57.91813
   47    45 S   HC   _H38    72     1.09535   111.84214   -65.04466
   48    41 S   OS   _O18    41     1.35657   110.78037    18.69668
   49    45 S   OH   _O20    73     1.42625   109.45689   175.16078
   50    49 S   HO   _H40    74     0.97252   107.13135   179.75772
   51    33 S   CT   _C12    42     1.55249   110.64810    56.68159
   52    51 S   HC   _H29    43     1.09505   112.08617    10.09452
   53    51 S   CT   _C8_    44     1.54349   117.28024   134.94410
   54    53 S   HC   _H24    45     1.09838   109.20196   155.78602
   55    53 S   HC   _H25    46     1.09594   109.93616    42.65011
   56    53 S   CT   _C11    47     1.55518   114.11687   -81.39956
   57    56 S   HC   _H28    48     1.09673   108.36577   154.97800
   58    56 S   CT   _C9_    49     1.53751   111.10008    33.59658
   59    58 S   HC   _H26    50     1.09714   106.38741   -63.28005
   60    56 S   CT   _C16    66     1.53645   109.35423   -89.33943
   61    60 S   HC   _H31    67     1.09501   111.53939    65.00974
   62    60 S   HC   _H32    68     1.09548   110.75153   -55.24121
   63    60 S   HC   _H33    69     1.09424   111.28904  -174.09299
   64    58 S   CM   _C5_    51     1.50711   120.89956  -177.33068
   65    64 S   HC   _H23    52     1.08109   124.01875    32.30500
   66    64 S   CM   _C4_    53     1.33843   112.51520  -156.63006
   67    66 S   HC   _H22    54     1.07506   129.11484  -173.60641
   68    66 S   CO4  _C6_    55     1.48126   105.19857     7.72421
   69    68 S   O    _O16    56     1.22023   122.87844  -168.05470
   70    58 S   CT   _C14    57     1.54690   114.73384    58.72045
   71    70 S   CT   _C17    62     1.55867   112.89381    56.40024
   72    71 S   HC   _H34    63     1.09521   111.68683   -69.34344
   73    71 S   HC   _H35    64     1.09690   110.48373   170.91208
   74    71 S   HC   _H36    65     1.09581   112.95680    51.46987
  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  13   5   4   3
  23   2   1   1  16   9  21   7   9   3   6   1   6   3   2   6
   1   1   9   4  12   5   4  13   8  16   7   5   2   1   1   7
   4   5   3   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    48    51    52    53    70    39    40    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    48    51    52    53    54    55    56    58    68    70    39    40    43    44    71    45    46    47    49  
   35    36  
   36  
    0  
   38    41    42    48    51    52    53    70    39    40    43    45    46    47    49    50  
   41    42    48    51    39    45    46    47    49  
   40    43    44    71    72    73    74    45    41    48    51    52    53    56    58    59    64    66    68    69    70  
   43    44    71    51    58    68    70  
   42    48    51    52    53    45    46    47    49  
   48    51    45  
   44    71    51    58    68    70  
   70  
   46    47    49    50    48    51  
   47    49    50  
   49    50  
   51    52    53    54    55    56  
   50  
    0  
   52    53    54    55    56    57    58    70    60  
   53    54    55    56  
   54    55    56    57    58    59    64    70    60    61    62    63  
   55    56    57    58    60  
   56    57    58    60  
   57    58    59    64    65    66    68    70    71    60    61    62    63  
   58    59    64    70    60    61    62    63  
   59    64    65    66    67    68    69    70    71    72    73    74    60    61    62    63  
   64    65    66    68    70    71    60  
   61    62    63    64    70  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72    73    74  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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
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    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    45   268.000  1.529
   41    42   570.000  1.229
   41    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   268.000  1.529
   58    59   340.000  1.090
   58    64   317.000  1.510
   58    70   268.000  1.529
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   340.000  1.080
   66    68   320.000  1.462
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    39   268.000  1.529
   70    71   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   320.000  1.410
   49    50   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    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    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    51    48    50.00000  109.50000
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    48    81.00000  111.40000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    49    50.00000  109.50000
   41    37    38    35.00000  109.50000
   41    48    51    83.00000  116.90000
   48    41    42    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    50.00000  109.50000
   51    33    37    58.35000  112.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    60    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    64    70.00000  112.02700
   56    58    70    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   58    56    57    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    66    70.00000  124.00000
   58    70    68    63.00000  111.10000
   58    70    39    58.35000  112.70000
   58    70    71    58.35000  112.70000
   64    58    59    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    65.00000  118.96000
   66    64    65    35.00000  120.00000
   66    68    69    80.00000  123.72100
   66    68    70    65.00000  118.62400
   68    66    67    40.00000  117.72500
   68    70    39    63.00000  111.10000
   68    70    71    63.00000  111.10000
   70    58    59    37.50000  110.70000
   70    58    64    70.00000  112.02700
   70    68    69    80.00000  120.40000
   70    39    40    37.50000  110.70000
   70    39    43    50.00000  109.50000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    74    37.50000  110.70000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   71    70    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    41    63.00000  111.10000
   45    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   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    41    42   0.30150 -1.0 2.0
   33    37   -41    48   0.36750  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    49   0.86500  1.0 1.0
   33    37    45    49  -0.17500 -1.0 2.0
   33    37    45    49   0.20800  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.56750  1.0 1.0
   33    51    53    56  -0.07550 -1.0 2.0
   33    51    53    56   0.20000  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   37    33   -51    48   0.62750  1.0 1.0
   37    33   -51    48  -0.30950 -1.0 2.0
   37    33   -51    48   0.27300  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.56750  1.0 1.0
   37    33    51    53  -0.07550 -1.0 2.0
   37    33    51    53   0.20000  1.0 3.0
   37    33    39    70   0.56750  1.0 1.0
   37    33    39    70  -0.07550 -1.0 2.0
   37    33    39    70   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.86500  1.0 1.0
   37    33    39    43  -0.17500 -1.0 2.0
   37    33    39    43   0.20800  1.0 3.0
   37    41   -48    51   1.63150  1.0 1.0
   37    41   -48    51   2.92000 -1.0 2.0
   37    45    49    50  -0.11600  1.0 1.0
   37    45    49    50  -0.09450 -1.0 2.0
   37    45    49    50   0.21250  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    49   0.23400  1.0 3.0
   41    37    45    46  -0.11250  1.0 3.0
   41    37    45    47  -0.11250  1.0 3.0
   41    37    45    49  -0.09450  1.0 1.0
   41    37    45    49  -1.12950 -1.0 2.0
   41    37    45    49   0.54000  1.0 3.0
   41    48   -51    33  -0.25900  1.0 1.0
   41    48   -51    33  -0.47000 -1.0 2.0
   41    48   -51    33   0.11750  1.0 3.0
   41    48    51    52   0.08050  1.0 3.0
   41    48    51    53  -0.25900  1.0 1.0
   41    48    51    53  -0.47000 -1.0 2.0
   41    48    51    53   0.11750  1.0 3.0
   42    41    48    51   3.00000 -1.0 2.0
   48    51    53    54   0.23400  1.0 3.0
   48    51    53    55   0.23400  1.0 3.0
   48    51    53    56   0.62750  1.0 1.0
   48    51    53    56  -0.30950 -1.0 2.0
   48    51    53    56   0.27300  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    41  -0.95700  1.0 1.0
   51    33   -37    41  -0.18200 -1.0 2.0
   51    33   -37    41   0.29450  1.0 3.0
   51    33    37    45   0.56750  1.0 1.0
   51    33    37    45  -0.07550 -1.0 2.0
   51    33    37    45   0.20000  1.0 3.0
   51    33    39    70   0.56750  1.0 1.0
   51    33    39    70  -0.07550 -1.0 2.0
   51    33    39    70   0.20000  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    43   0.86500  1.0 1.0
   51    33    39    43  -0.17500 -1.0 2.0
   51    33    39    43   0.20800  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.56750  1.0 1.0
   51    53    56    58  -0.07550 -1.0 2.0
   51    53    56    58   0.20000  1.0 3.0
   51    53    56    60   0.56750  1.0 1.0
   51    53    56    60  -0.07550 -1.0 2.0
   51    53    56    60   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    64   0.34400  1.0 1.0
   53    56    58    64   0.09450 -1.0 2.0
   53    56    58    64   0.11100  1.0 3.0
   53    56    58    70   0.56750  1.0 1.0
   53    56    58    70  -0.07550 -1.0 2.0
   53    56    58    70   0.20000  1.0 3.0
   53    56    60    61   0.15000  1.0 3.0
   53    56    60    62   0.15000  1.0 3.0
   53    56    60    63   0.15000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    60   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    60   0.15000  1.0 3.0
   56    58    64    65   0.00000  1.0 1.0
   56    58    64    66   0.09850  1.0 1.0
   56    58    64    66   0.15250 -1.0 2.0
   56    58    64    66  -0.50650  1.0 3.0
   56    58    70    68  -0.95700  1.0 1.0
   56    58    70    68  -0.18200 -1.0 2.0
   56    58    70    68   0.29450  1.0 3.0
   56    58    70    39   0.56750  1.0 1.0
   56    58    70    39  -0.07550 -1.0 2.0
   56    58    70    39   0.20000  1.0 3.0
   56    58    70    71   0.56750  1.0 1.0
   56    58    70    71  -0.07550 -1.0 2.0
   56    58    70    71   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    64   0.15000  1.0 3.0
   57    56    58    70   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   58    64    66    67   7.00000 -1.0 2.0
   58    64   -66    68   7.00000 -1.0 2.0
   58    70    39    33   0.56750  1.0 1.0
   58    70    39    33  -0.07550 -1.0 2.0
   58    70    39    33   0.20000  1.0 3.0
   58    70    39    40   0.15000  1.0 3.0
   58    70    39    43   0.86500  1.0 1.0
   58    70    39    43  -0.17500 -1.0 2.0
   58    70    39    43   0.20800  1.0 3.0
   58    70    71    72   0.15000  1.0 3.0
   58    70    71    73   0.15000  1.0 3.0
   58    70    71    74   0.15000  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    70    68  -0.11250  1.0 3.0
   59    58    70    39   0.15000  1.0 3.0
   59    58    70    71   0.15000  1.0 3.0
   64    58   -70    68  -0.98800  1.0 1.0
   64    58   -70    68   0.48800 -1.0 2.0
   64    58   -70    68   0.76800  1.0 3.0
   64    58    70    39   0.34400  1.0 1.0
   64    58    70    39   0.09450 -1.0 2.0
   64    58    70    39   0.11100  1.0 3.0
   64    58    70    71   0.34400  1.0 1.0
   64    58    70    71   0.09450 -1.0 2.0
   64    58    70    71   0.11100  1.0 3.0
   64    66    68    69   1.00000 -1.0 2.0
   64    66   -68    70  -0.33500  1.0 1.0
   64    66   -68    70   1.06600 -1.0 2.0
   64    66   -68    70  -0.14000  1.0 3.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    68   7.00000 -1.0 2.0
   66    68   -70    58   0.65300  1.0 1.0
   66    68   -70    58  -0.03850 -1.0 2.0
   66    68   -70    58   0.33900  1.0 3.0
   66    68    70    39   0.65300  1.0 1.0
   66    68    70    39  -0.03850 -1.0 2.0
   66    68    70    39   0.33900  1.0 3.0
   66    68    70    71   0.65300  1.0 1.0
   66    68    70    71  -0.03850 -1.0 2.0
   66    68    70    71   0.33900  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.04550  1.0 1.0
   67    66    68    70   0.83000 -1.0 2.0
   67    66    68    70  -0.04000  1.0 3.0
   68    70    39    33  -0.95700  1.0 1.0
   68    70    39    33  -0.18200 -1.0 2.0
   68    70    39    33   0.29450  1.0 3.0
   68    70    39    40  -0.11250  1.0 3.0
   68    70    39    43  -0.09450  1.0 1.0
   68    70    39    43  -1.12950 -1.0 2.0
   68    70    39    43   0.54000  1.0 3.0
   68    70    71    72  -0.11250  1.0 3.0
   68    70    71    73  -0.11250  1.0 3.0
   68    70    71    74  -0.11250  1.0 3.0
   69    68    70    58   0.30150 -1.0 2.0
   69    68    70    39   0.30150 -1.0 2.0
   69    68    70    71   0.30150 -1.0 2.0
   70    58    64    65   0.00000  1.0 1.0
   70    58   -64    66   0.09850  1.0 1.0
   70    58   -64    66   0.15250 -1.0 2.0
   70    58   -64    66  -0.50650  1.0 3.0
   70    39    43    44  -0.11600  1.0 1.0
   70    39    43    44  -0.09450 -1.0 2.0
   70    39    43    44   0.21250  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    51    48   0.62750  1.0 1.0
   39    33    51    48  -0.30950 -1.0 2.0
   39    33    51    48   0.27300  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    53   0.56750  1.0 1.0
   39    33    51    53  -0.07550 -1.0 2.0
   39    33    51    53   0.20000  1.0 3.0
   39    70    71    72   0.15000  1.0 3.0
   39    70    71    73   0.15000  1.0 3.0
   39    70    71    74   0.15000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   71    70    39    33   0.56750  1.0 1.0
   71    70    39    33  -0.07550 -1.0 2.0
   71    70    39    33   0.20000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    43   0.86500  1.0 1.0
   71    70    39    43  -0.17500 -1.0 2.0
   71    70    39    43   0.20800  1.0 3.0
   60    56    58    59   0.15000  1.0 3.0
   60    56    58    64   0.34400  1.0 1.0
   60    56    58    64   0.09450 -1.0 2.0
   60    56    58    64   0.11100  1.0 3.0
   60    56    58    70   0.56750  1.0 1.0
   60    56    58    70  -0.07550 -1.0 2.0
   60    56    58    70   0.20000  1.0 3.0
   45    37    41    42   0.30150 -1.0 2.0
   45    37    41    48   0.36750  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50   0.19450  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
   37    48    41    42  10.50000 -1.0 2.0
   58    65    64    66   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
END
