* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    139    225     418
    1     0 S   NP   _N1_     1    28.65844    96.53158   -23.16588
    2     1 S   H    _HN1     2     1.02952    71.27502    21.69850
    3     1 S   H    _H1_     3     1.02827    40.45324   172.82586
    4     1 S   H    _H2_     4     1.02782   102.18253   -83.79203
    5     1 S   CT   _CA1     5     1.50121   142.13613   121.09069
    6     5 S   HC   _HA1     6     1.09576   105.18707    92.20547
    7     5 S   CO3  _C1_     7     1.53782   112.43551   -27.97426
    8     7 S   O2Z  _O11     8     1.26368   115.00601   -42.89897
    9     7 S   O2Z  _O12     9     1.26243   114.94229   136.17083
   10     5 S   CT   _CB1    10     1.53078   107.40359  -149.87312
   11    10 S   HC   HB11    11     1.09832   109.31417   -50.13283
   12    10 S   HC   HB12    12     1.09813   110.46775    66.45529
   13    10 S   CT   _CG1    13     1.52985   112.62829  -171.14417
   14    13 S   HC   HG11    14     1.09588   110.58431   -66.03482
   15    13 S   HC   HG12    15     1.09672   109.82012    53.18847
   16    13 S   C    _CD1    16     1.51813   112.26200   173.56550
   17    16 S   O    _OE1    17     1.22733   123.29781     5.22652
   18    16 S   N    _N2_    18     1.38636   111.62497  -174.67612
   19    18 S   H    _HN2    19     1.01583   118.99543     1.38903
   20    18 S   CT1  _CA2    20     1.46243   123.46797   177.65949
   21    20 S   HC   _HA2    21     1.09743   109.30310     3.04575
   22    20 S   C    _C2_    22     1.53622   108.98460  -112.37785
   23    22 S   O    _O2_    23     1.23067   122.24515  -151.57100
   24    20 S   CT   _CB2    32     1.53520   111.39352   124.98398
   25    24 S   HC   HB21    33     1.09436   109.21468    55.09014
   26    24 S   HC   HB22    34     1.09329   109.77027   174.01555
   27    22 S   N    _N3_    24     1.38321   113.84054    36.07027
   28    27 S   H    _HN3    25     1.01571   119.54321    -3.64524
   29    24 S   S    _SG2    35     1.83285   110.74287   -65.78661
   30    27 S   CT   _CA3    26     1.45274   123.21906   177.04229
   31    30 S   HC   HA31    27     1.09549   107.53644   -64.08202
   32    30 S   HC   HA32    28     1.09557   107.96175    52.35714
   33    29 S   CT   _C14    36     1.87538   102.80140   179.32334
   34    30 S   CO3  _C3_    29     1.52952   114.07492   174.34428
   35    34 S   O2Z  _O31    30     1.26378   116.06939    -0.24629
   36    34 S   O2Z  _O32    31     1.26429   114.41156   179.80317
   37    33 S   CM   _C6_    37     1.51802   109.37393   -53.36072
   38    33 S   CT   _C13    57     1.56954   108.74598  -176.13756
   39    38 S   HC   _H29    58     1.09875   104.83661   164.39815
   40    37 S   CMA  _C7_    38     1.35111   112.39791   110.45665
   41    40 S   OM   _O16    39     1.26348   127.88605  -179.25822
   42    38 S   OH   _O19    59     1.43474   110.34901    53.27547
   43    42 S   HO   _H38    60     0.97205   108.22062   176.83257
   44    37 S   CT   _C18    69     1.50391   122.81640   -68.03796
   45    44 S   HC   _H36    70     1.09500   111.95786   157.07110
   46    44 S   HC   _H37    71     1.09421   111.28799    37.71218
   47    40 S   OS   _O18    40     1.40818   110.39204    -0.33455
   48    44 S   OH   _O20    72     1.42204   109.79515   -83.13374
   49    48 S   HO   _H39    73     0.97172   106.79017   178.57042
   50    33 S   CT   _C12    41     1.55608   111.55005    55.79225
   51    50 S   HC   _H28    42     1.09563   111.65202    10.12434
   52    50 S   CT   _C9_    43     1.54414   117.80486   134.95175
   53    52 S   HC   _H24    44     1.09863   109.31062   157.11685
   54    52 S   HC   _H25    45     1.09601   109.68738    44.01288
   55    52 S   CT   _C11    46     1.54798   114.09797   -80.27442
   56    55 S   HC   _H27    47     1.09701   108.34058   158.71856
   57    55 S   CT   _C10    48     1.53497   110.56947    37.64113
   58    57 S   HC   _H26    49     1.09677   107.01855   -66.01660
   59    55 S   CT   _C16    65     1.53644   109.73186   -85.50272
   60    59 S   HC   _H30    66     1.09484   111.67101    65.54331
   61    59 S   HC   _H31    67     1.09545   110.74245   -54.77610
   62    59 S   HC   _H32    68     1.09428   111.25322  -173.62963
   63    57 S   CM   _C5_    50     1.50582   119.39168   179.38229
   64    63 S   HC   _H23    51     1.08123   123.81370    35.17075
   65    63 S   CM   _C4_    52     1.33647   112.93138  -153.28634
   66    65 S   HC   _H22    53     1.07517   128.96835  -174.18924
   67    65 S   CO4  _C8_    54     1.47898   105.44303     7.41757
   68    67 S   O    _O17    55     1.22100   122.20275  -171.84248
   69    57 S   CT   _C15    56     1.54814   114.35615    56.36305
   70    69 S   CT   _C17    61     1.55828   112.85873    52.05013
   71    70 S   HC   _H33    62     1.09456   111.93664   -70.73288
   72    70 S   HC   _H34    63     1.09683   110.60646   169.50662
   73    70 S   HC   _H35    64     1.09605   112.65356    50.15738
  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
  22   2   1   1  15  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    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    50    51    52    69    38    39    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    50    51    52    53    54    55    57    67    69    38    39    42    43    70    44    45    46    48  
   35    36  
   36  
    0  
   40    41    47    50    51    52    69    38    39    42    44    45    46    48    49  
   39    42    43    70    71    72    73    44    40    47    50    51    52    55    57    58    63    65    67    68    69  
   42    43    70    50    57    67    69  
   41    47    50    51    52    44    45    46    48  
   47    50    44  
   43    70    50    57    67    69  
   69  
   45    46    48    49    47    50  
   46    48    49  
   48    49  
   50    51    52    53    54    55  
   49  
    0  
   51    52    53    54    55    56    57    69    59  
   52    53    54    55  
   53    54    55    56    57    58    63    69    59    60    61    62  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    63    64    65    67    69    70    59    60    61    62  
   57    58    63    69    59    60    61    62  
   58    63    64    65    66    67    68    69    70    71    72    73    59    60    61    62  
   63    64    65    67    69    70    59  
   60    61    62    63    69  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70  
   65    66    67    69  
   66    67    68    69    70  
   67    68    69  
   68    69    70    71    72    73  
   69    70  
   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   0.167500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    44   317.000  1.510
   40    41   745.000  1.250
   40    47   440.000  1.360
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   317.000  1.510
   57    69   268.000  1.529
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   320.000  1.462
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    38   268.000  1.529
   69    70   268.000  1.529
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    43   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   320.000  1.410
   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    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  112.20000
   29    33    50    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    50    47    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    38    69    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    47    80.00000  120.01400
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    48    90.00000  110.39200
   40    47    50    90.00000  111.18400
   47    40    41    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    52    50.00000  109.50000
   50    33    37    70.00000  112.02700
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    59    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    63    70.00000  112.02700
   55    57    69    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    63    64    35.00000  117.00000
   57    63    65    70.00000  124.00000
   57    69    67    63.00000  111.10000
   57    69    38    58.35000  112.70000
   57    69    70    58.35000  112.70000
   63    57    58    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    67    65.00000  118.96000
   65    63    64    35.00000  120.00000
   65    67    68    80.00000  123.72100
   65    67    69    65.00000  118.62400
   67    65    66    40.00000  117.72500
   67    69    38    63.00000  111.10000
   67    69    70    63.00000  111.10000
   69    57    58    37.50000  110.70000
   69    57    63    70.00000  112.02700
   69    67    68    80.00000  120.40000
   69    38    39    37.50000  110.70000
   69    38    42    50.00000  109.50000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    73    37.50000  110.70000
   38    33    37    70.00000  112.02700
   38    33    50    58.35000  112.70000
   38    42    43    55.00000  108.50000
   42    38    39    35.00000  109.50000
   70    69    38    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   44    37    40    70.00000  124.00000
   44    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    50    47   0.56750  1.0 1.0
   29    33    50    47  -0.07550 -1.0 2.0
   29    33    50    47   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    38    69   0.44750  1.0 1.0
   29    33    38    69  -0.17800 -1.0 2.0
   29    33    38    69   0.20200  1.0 3.0
   29    33    38    39   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
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    48   0.18000  1.0 1.0
   33    37    44    48   0.16450 -1.0 2.0
   33    37    44    48   0.04450  1.0 3.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.15000  1.0 3.0
   33    50    52    55   0.56750  1.0 1.0
   33    50    52    55  -0.07550 -1.0 2.0
   33    50    52    55   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   37    33   -50    47   0.61850  1.0 1.0
   37    33   -50    47  -0.22750 -1.0 2.0
   37    33   -50    47   0.15300  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.34400  1.0 1.0
   37    33    50    52   0.09450 -1.0 2.0
   37    33    50    52   0.11100  1.0 3.0
   37    33    38    69   0.34400  1.0 1.0
   37    33    38    69   0.09450 -1.0 2.0
   37    33    38    69   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    42   1.05650  1.0 1.0
   37    33    38    42   0.15600 -1.0 2.0
   37    33    38    42   0.53150  1.0 3.0
   37    40   -47    50  -2.26850  1.0 1.0
   37    40   -47    50   3.39050 -1.0 2.0
   37    44    48    49  -0.07800  1.0 1.0
   37    44    48    49  -0.21500 -1.0 2.0
   37    44    48    49  -0.03150  1.0 3.0
   40    37    44    45   0.00000  1.0 1.0
   40    37    44    46   0.00000  1.0 1.0
   40    37    44    48   0.67800  1.0 1.0
   40    37    44    48   0.47050 -1.0 2.0
   40    37    44    48  -0.62500  1.0 3.0
   40    47   -50    33  -0.46850  1.0 1.0
   40    47   -50    33   0.09300 -1.0 2.0
   40    47   -50    33  -0.12850  1.0 3.0
   40    47    50    51   0.08050  1.0 3.0
   40    47    50    52  -0.46850  1.0 1.0
   40    47    50    52   0.09300 -1.0 2.0
   40    47    50    52  -0.12850  1.0 3.0
   41    40    47    50   2.00000 -1.0 2.0
   47    50    52    53   0.23400  1.0 3.0
   47    50    52    54   0.23400  1.0 3.0
   47    50    52    55   0.62750  1.0 1.0
   47    50    52    55  -0.30950 -1.0 2.0
   47    50    52    55   0.27300  1.0 3.0
   50    33   -37    40   0.09850  1.0 1.0
   50    33   -37    40   0.15250 -1.0 2.0
   50    33   -37    40  -0.50650  1.0 3.0
   50    33    37    44   0.46850  1.0 1.0
   50    33    37    44   0.08550 -1.0 2.0
   50    33    37    44   0.09800  1.0 3.0
   50    33    38    69   0.56750  1.0 1.0
   50    33    38    69  -0.07550 -1.0 2.0
   50    33    38    69   0.20000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33    38    42   0.86500  1.0 1.0
   50    33    38    42  -0.17500 -1.0 2.0
   50    33    38    42   0.20800  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.56750  1.0 1.0
   50    52    55    57  -0.07550 -1.0 2.0
   50    52    55    57   0.20000  1.0 3.0
   50    52    55    59   0.56750  1.0 1.0
   50    52    55    59  -0.07550 -1.0 2.0
   50    52    55    59   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    63   0.34400  1.0 1.0
   52    55    57    63   0.09450 -1.0 2.0
   52    55    57    63   0.11100  1.0 3.0
   52    55    57    69   0.56750  1.0 1.0
   52    55    57    69  -0.07550 -1.0 2.0
   52    55    57    69   0.20000  1.0 3.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.15000  1.0 3.0
   52    55    59    62   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    59   0.15000  1.0 3.0
   55    57    63    64   0.00000  1.0 1.0
   55    57    63    65   0.09850  1.0 1.0
   55    57    63    65   0.15250 -1.0 2.0
   55    57    63    65  -0.50650  1.0 3.0
   55    57    69    67  -0.95700  1.0 1.0
   55    57    69    67  -0.18200 -1.0 2.0
   55    57    69    67   0.29450  1.0 3.0
   55    57    69    38   0.56750  1.0 1.0
   55    57    69    38  -0.07550 -1.0 2.0
   55    57    69    38   0.20000  1.0 3.0
   55    57    69    70   0.56750  1.0 1.0
   55    57    69    70  -0.07550 -1.0 2.0
   55    57    69    70   0.20000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    63   0.15000  1.0 3.0
   56    55    57    69   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    62   0.15000  1.0 3.0
   57    63    65    66   7.00000 -1.0 2.0
   57    63   -65    67   7.00000 -1.0 2.0
   57    69    38    33   0.56750  1.0 1.0
   57    69    38    33  -0.07550 -1.0 2.0
   57    69    38    33   0.20000  1.0 3.0
   57    69    38    39   0.15000  1.0 3.0
   57    69    38    42   0.86500  1.0 1.0
   57    69    38    42  -0.17500 -1.0 2.0
   57    69    38    42   0.20800  1.0 3.0
   57    69    70    71   0.15000  1.0 3.0
   57    69    70    72   0.15000  1.0 3.0
   57    69    70    73   0.15000  1.0 3.0
   58    57    63    64   0.33100  1.0 3.0
   58    57    63    65   0.00000  1.0 1.0
   58    57    69    67  -0.11250  1.0 3.0
   58    57    69    38   0.15000  1.0 3.0
   58    57    69    70   0.15000  1.0 3.0
   63    57   -69    67  -0.98800  1.0 1.0
   63    57   -69    67   0.48800 -1.0 2.0
   63    57   -69    67   0.76800  1.0 3.0
   63    57    69    38   0.34400  1.0 1.0
   63    57    69    38   0.09450 -1.0 2.0
   63    57    69    38   0.11100  1.0 3.0
   63    57    69    70   0.34400  1.0 1.0
   63    57    69    70   0.09450 -1.0 2.0
   63    57    69    70   0.11100  1.0 3.0
   63    65    67    68   1.00000 -1.0 2.0
   63    65   -67    69  -0.33500  1.0 1.0
   63    65   -67    69   1.06600 -1.0 2.0
   63    65   -67    69  -0.14000  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67   -69    57   0.65300  1.0 1.0
   65    67   -69    57  -0.03850 -1.0 2.0
   65    67   -69    57   0.33900  1.0 3.0
   65    67    69    38   0.65300  1.0 1.0
   65    67    69    38  -0.03850 -1.0 2.0
   65    67    69    38   0.33900  1.0 3.0
   65    67    69    70   0.65300  1.0 1.0
   65    67    69    70  -0.03850 -1.0 2.0
   65    67    69    70   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.04550  1.0 1.0
   66    65    67    69   0.83000 -1.0 2.0
   66    65    67    69  -0.04000  1.0 3.0
   67    69    38    33  -0.95700  1.0 1.0
   67    69    38    33  -0.18200 -1.0 2.0
   67    69    38    33   0.29450  1.0 3.0
   67    69    38    39  -0.11250  1.0 3.0
   67    69    38    42  -0.09450  1.0 1.0
   67    69    38    42  -1.12950 -1.0 2.0
   67    69    38    42   0.54000  1.0 3.0
   67    69    70    71  -0.11250  1.0 3.0
   67    69    70    72  -0.11250  1.0 3.0
   67    69    70    73  -0.11250  1.0 3.0
   68    67    69    57   0.30150 -1.0 2.0
   68    67    69    38   0.30150 -1.0 2.0
   68    67    69    70   0.30150 -1.0 2.0
   69    57    63    64   0.00000  1.0 1.0
   69    57   -63    65   0.09850  1.0 1.0
   69    57   -63    65   0.15250 -1.0 2.0
   69    57   -63    65  -0.50650  1.0 3.0
   69    38    42    43  -0.11600  1.0 1.0
   69    38    42    43  -0.09450 -1.0 2.0
   69    38    42    43   0.21250  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    50    47   0.62750  1.0 1.0
   38    33    50    47  -0.30950 -1.0 2.0
   38    33    50    47   0.27300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.56750  1.0 1.0
   38    33    50    52  -0.07550 -1.0 2.0
   38    33    50    52   0.20000  1.0 3.0
   38    69    70    71   0.15000  1.0 3.0
   38    69    70    72   0.15000  1.0 3.0
   38    69    70    73   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   70    69    38    33   0.56750  1.0 1.0
   70    69    38    33  -0.07550 -1.0 2.0
   70    69    38    33   0.20000  1.0 3.0
   70    69    38    39   0.15000  1.0 3.0
   70    69    38    42   0.86500  1.0 1.0
   70    69    38    42  -0.17500 -1.0 2.0
   70    69    38    42   0.20800  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   0.34400  1.0 1.0
   59    55    57    63   0.09450 -1.0 2.0
   59    55    57    63   0.11100  1.0 3.0
   59    55    57    69   0.56750  1.0 1.0
   59    55    57    69  -0.07550 -1.0 2.0
   59    55    57    69   0.20000  1.0 3.0
   44    37    40    41   7.00000 -1.0 2.0
   44    37    40    47   7.00000 -1.0 2.0
   45    44    48    49   0.19450  1.0 3.0
   46    44    48    49   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
   33    44    37    40   1.10000 -1.0 2.0
   41    47    40    37   1.10000 -1.0 2.0
   57    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
END
