* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    137    216     411
    1     0 S   NP   _N1_     1    28.72120    95.18443   -23.97298
    2     1 S   H    _HN1     2     1.02951    78.77632    19.28287
    3     1 S   H    _H1_     3     1.02829    30.63844   176.57394
    4     1 S   H    _H2_     4     1.02784   106.89602   -86.69856
    5     1 S   CT   _CA1     5     1.50112   133.54946   126.84311
    6     5 S   HC   _HA1     6     1.09573   105.20553    83.79698
    7     5 S   CO3  _C1_     7     1.53793   112.44589   -36.44632
    8     7 S   O2Z  _O11     8     1.26372   115.00650   -42.81761
    9     7 S   O2Z  _O12     9     1.26241   114.94872   136.33043
   10     5 S   CT   _CB1    10     1.53084   107.42305  -158.22108
   11    10 S   HC   HB11    11     1.09831   109.38570   -49.82389
   12    10 S   HC   HB12    12     1.09814   110.43827    66.78527
   13    10 S   CT   _CG1    13     1.52985   112.60020  -170.81517
   14    13 S   HC   HG11    14     1.09586   110.59863   -65.08217
   15    13 S   HC   HG12    15     1.09669   109.82030    54.14559
   16    13 S   C    _CD1    16     1.51799   112.27023   174.59499
   17    16 S   O    _OE1    17     1.22726   123.30961     5.28691
   18    16 S   N    _N2_    18     1.38647   111.63646  -174.81753
   19    18 S   H    _HN2    19     1.01583   118.93310     1.80678
   20    18 S   CT1  _CA2    20     1.46199   123.40210   177.92982
   21    20 S   HC   _HA2    21     1.09738   109.40873     1.10571
   22    20 S   C    _C2_    22     1.53525   108.54601  -114.38663
   23    22 S   O    _O2_    23     1.23051   122.28761  -147.65114
   24    20 S   CT   _CB2    32     1.53466   111.52036   123.17486
   25    24 S   HC   HB21    33     1.09371   109.55729    56.56966
   26    24 S   HC   HB22    34     1.09432   109.64400   175.43559
   27    22 S   N    _N3_    24     1.38330   113.67018    39.78333
   28    27 S   H    _HN3    25     1.01595   119.58444    -3.39113
   29    24 S   S    _SG2    35     1.82946   111.09703   -65.25961
   30    27 S   CT   _CA3    26     1.45289   123.18491   177.09391
   31    30 S   HC   HA31    27     1.09550   107.51056   -64.46036
   32    30 S   HC   HA32    28     1.09557   107.97961    51.97053
   33    29 S   CT   _C11    36     1.88215   102.44341   169.66309
   34    30 S   CO3  _C3_    29     1.52953   114.09465   173.96476
   35    34 S   O2Z  _O31    30     1.26375   116.06489    -0.77984
   36    34 S   O2Z  _O32    31     1.26429   114.41204   179.28345
   37    33 S   CT   _C12    37     1.53779   112.24845    48.88298
   38    37 S   HC   _H16    38     1.09503   111.51721   -61.67791
   39    37 S   HC   _H17    39     1.09631   110.39712  -179.95154
   40    33 S   CT   _C10    56     1.54930   104.92174   -72.11947
   41    40 S   HC   _H14    57     1.09648   110.68088    74.17741
   42    40 S   HC   _H15    58     1.09916   110.30168   -43.33757
   43    37 S   CO4  _C13    40     1.51511   113.25095    61.06082
   44    43 S   O    _O33    41     1.23254   120.44482  -160.64418
   45    43 S   CT   _C14    42     1.52074   117.99996    19.98929
   46    45 S   HC   _H6_    43     1.09320   109.13493   -90.52990
   47    45 S   CT   _C5_    44     1.53278   111.40536    33.26269
   48    47 S   HC   _H3_    45     1.09989   106.25308    72.37034
   49    45 S   OH   _O34    71     1.42331   108.26439   153.30750
   50    49 S   HO   _H18    72     0.97328   107.28117    58.17792
   51    33 S   CT   _C6_    46     1.56342   107.53418   168.76117
   52    51 S   HC   _H4_    47     1.10023   107.82212    41.75381
   53    47 S   CT   _C4_    67     1.53590   110.52503  -173.80625
   54    53 S   HC   _H7_    68     1.09527   111.05110    63.14897
   55    53 S   HC   _H8_    69     1.09489   111.22273   -57.12688
   56    53 S   HC   _H9_    70     1.09508   110.86886  -176.66375
   57    51 S   CT   _C7_    48     1.55368   113.00348   157.55120
   58    57 S   HC   _H10    49     1.09734   108.22219  -172.22476
   59    57 S   HC   _H11    50     1.09886   109.74261    72.36893
   60    57 S   CT   _C8_    51     1.53319   113.73251   -49.76307
   61    60 S   HC   _H5_    52     1.09950   108.44134   -58.29698
   62    60 S   CT   _C9_    53     1.53344   108.57419    57.61184
   63    62 S   HC   _H12    54     1.09728   110.01638   179.65170
   64    62 S   HC   _H13    55     1.09638   111.23831    61.40257
   65    60 S   CM   _C15    59     1.52661   110.87193  -175.22812
   66    65 S   CM   _C16    60     1.34365   124.67563  -103.35388
   67    66 S   HC   _H19    61     1.08569   121.17966  -179.31472
   68    66 S   HC   _H20    62     1.08347   122.54504     1.17503
   69    65 S   CT   _C17    63     1.50776   115.57443    77.98560
   70    69 S   HC   _H21    64     1.09399   110.80531   -63.39742
   71    69 S   HC   _H22    65     1.09494   110.27361    56.85113
   72    69 S   HC   _H23    66     1.09542   112.20491   176.52881
  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
  21   2   1   1  15   6   5  13   6   5   9   4  12   6  13   8
   3   1  12   5   4   2   1   1  10   5   4  12   6   5   2   1
   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    51    52    57    62    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    51    52    57    58    59    60    62    63    64    40    41    42    53  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    51    52    57    62    40    41    42    49  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    65    43    47    51    52    57    60    61    62    63    64  
   42    51    60    62    63    64  
   51    60    62    63    64  
   44    45    46    47    48    51    53    49    50  
   45    46    47    49  
   46    47    48    51    52    57    53    54    55    56    49    50  
   47    48    51    53    49    50  
   48    51    52    57    58    59    60    53    54    55    56    49    50  
   51    52    57    53    54    55    56    49  
   50    51    53  
    0  
   52    57    58    59    60    61    62    65    53    54    55    56  
   57    58    59    60    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66    69  
   59    60    61    62    65  
   60    61    62    65  
   61    62    63    64    65    66    67    68    69    70    71    72  
   62    63    64    65    66    69  
   63    64    65    66    69  
   64    65  
   65  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    65   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   65    66   549.000  1.340
   65    69   317.000  1.510
   66    67   340.000  1.080
   66    68   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   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    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    47    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    40    62    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   43    45    49    90.00000  109.61100
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    47    53    58.35000  112.70000
   45    49    50    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    57    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    65    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    40    58.35000  112.70000
   60    65    66    70.00000  124.00000
   60    65    69    65.00000  117.92700
   62    60    61    37.50000  110.70000
   62    40    41    37.50000  110.70000
   62    40    42    37.50000  110.70000
   64    62    63    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    37.50000  110.70000
   42    40    41    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    70.00000  112.02700
   65    66    67    35.00000  120.00000
   65    66    68    35.00000  120.00000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   68    66    67    35.00000  117.00000
   69    65    66    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    47   0.44750  1.0 1.0
   29    33    51    47  -0.17800 -1.0 2.0
   29    33    51    47   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.44750  1.0 1.0
   29    33    51    57  -0.17800 -1.0 2.0
   29    33    51    57   0.20200  1.0 3.0
   29    33    40    62   0.44750  1.0 1.0
   29    33    40    62  -0.17800 -1.0 2.0
   29    33    40    62   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    51    57    58   0.15000  1.0 3.0
   33    51    57    59   0.15000  1.0 3.0
   33    51    57    60   0.56750  1.0 1.0
   33    51    57    60  -0.07550 -1.0 2.0
   33    51    57    60   0.20000  1.0 3.0
   37    33    51    47   0.56750  1.0 1.0
   37    33    51    47  -0.07550 -1.0 2.0
   37    33    51    47   0.20000  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    57   0.56750  1.0 1.0
   37    33    51    57  -0.07550 -1.0 2.0
   37    33    51    57   0.20000  1.0 3.0
   37    33    40    62   0.56750  1.0 1.0
   37    33    40    62  -0.07550 -1.0 2.0
   37    33    40    62   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43   -45    47   0.60050  1.0 1.0
   37    43   -45    47   0.05600 -1.0 2.0
   37    43   -45    47   0.26150  1.0 3.0
   37    43    45    49   0.55300  1.0 1.0
   37    43    45    49   1.25850 -1.0 2.0
   37    43    45    49  -0.23600  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    51  -0.95700  1.0 1.0
   43    45    47    51  -0.18200 -1.0 2.0
   43    45    47    51   0.29450  1.0 3.0
   43    45    47    53  -0.95700  1.0 1.0
   43    45    47    53  -0.18200 -1.0 2.0
   43    45    47    53   0.29450  1.0 3.0
   43    45    49    50   0.91850  1.0 1.0
   43    45    49    50   0.57950  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   44    43    45    49   0.30150 -1.0 2.0
   45    47   -51    33   0.56750  1.0 1.0
   45    47   -51    33  -0.07550 -1.0 2.0
   45    47   -51    33   0.20000  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    57   0.56750  1.0 1.0
   45    47    51    57  -0.07550 -1.0 2.0
   45    47    51    57   0.20000  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    55   0.15000  1.0 3.0
   45    47    53    56   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    47    53   0.15000  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50  -0.11600  1.0 1.0
   47    45    49    50  -0.09450 -1.0 2.0
   47    45    49    50   0.21250  1.0 3.0
   47    51    57    58   0.15000  1.0 3.0
   47    51    57    59   0.15000  1.0 3.0
   47    51    57    60   0.56750  1.0 1.0
   47    51    57    60  -0.07550 -1.0 2.0
   47    51    57    60   0.20000  1.0 3.0
   48    47    51    33   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    43  -0.95700  1.0 1.0
   51    33   -37    43  -0.18200 -1.0 2.0
   51    33   -37    43   0.29450  1.0 3.0
   51    33    40    62   0.56750  1.0 1.0
   51    33    40    62  -0.07550 -1.0 2.0
   51    33    40    62   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    47    53    54   0.15000  1.0 3.0
   51    47    53    55   0.15000  1.0 3.0
   51    47    53    56   0.15000  1.0 3.0
   51    57    60    61   0.15000  1.0 3.0
   51    57   -60    62   0.56750  1.0 1.0
   51    57   -60    62  -0.07550 -1.0 2.0
   51    57   -60    62   0.20000  1.0 3.0
   51    57    60    65   0.34400  1.0 1.0
   51    57    60    65   0.09450 -1.0 2.0
   51    57    60    65   0.11100  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   57    60    62    63   0.15000  1.0 3.0
   57    60    62    64   0.15000  1.0 3.0
   57    60    62    40   0.56750  1.0 1.0
   57    60    62    40  -0.07550 -1.0 2.0
   57    60    62    40   0.20000  1.0 3.0
   57    60    65    66   0.09850  1.0 1.0
   57    60    65    66   0.15250 -1.0 2.0
   57    60    65    66  -0.50650  1.0 3.0
   57    60    65    69   0.46850  1.0 1.0
   57    60    65    69   0.08550 -1.0 2.0
   57    60    65    69   0.09800  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    65   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    65   0.15000  1.0 3.0
   60    62   -40    33   0.56750  1.0 1.0
   60    62   -40    33  -0.07550 -1.0 2.0
   60    62   -40    33   0.20000  1.0 3.0
   60    62    40    41   0.15000  1.0 3.0
   60    62    40    42   0.15000  1.0 3.0
   60    65    66    67   7.00000 -1.0 2.0
   60    65    66    68   7.00000 -1.0 2.0
   60    65    69    70   0.34800  1.0 3.0
   60    65    69    71   0.34800  1.0 3.0
   60    65    69    72   0.34800  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    40   0.15000  1.0 3.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    69   0.34800  1.0 3.0
   62    60    65    66   0.09850  1.0 1.0
   62    60    65    66   0.15250 -1.0 2.0
   62    60    65    66  -0.50650  1.0 3.0
   62    60    65    69   0.46850  1.0 1.0
   62    60    65    69   0.08550 -1.0 2.0
   62    60    65    69   0.09800  1.0 3.0
   63    62    40    33   0.15000  1.0 3.0
   63    62    40    41   0.15000  1.0 3.0
   63    62    40    42   0.15000  1.0 3.0
   64    62    40    33   0.15000  1.0 3.0
   64    62    40    41   0.15000  1.0 3.0
   64    62    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    47   0.56750  1.0 1.0
   40    33    51    47  -0.07550 -1.0 2.0
   40    33    51    47   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33   -51    57   0.56750  1.0 1.0
   40    33   -51    57  -0.07550 -1.0 2.0
   40    33   -51    57   0.20000  1.0 3.0
   65    60    62    63   0.15000  1.0 3.0
   65    60    62    64   0.15000  1.0 3.0
   65    60    62    40   0.34400  1.0 1.0
   65    60    62    40   0.09450 -1.0 2.0
   65    60    62    40   0.11100  1.0 3.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   69    65    66    67   7.00000 -1.0 2.0
   69    65    66    68   7.00000 -1.0 2.0
   53    47    51    33   0.56750  1.0 1.0
   53    47    51    33  -0.07550 -1.0 2.0
   53    47    51    33   0.20000  1.0 3.0
   53    47    51    52   0.15000  1.0 3.0
   53    47    51    57   0.56750  1.0 1.0
   53    47    51    57  -0.07550 -1.0 2.0
   53    47    51    57   0.20000  1.0 3.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    51   0.86500  1.0 1.0
   49    45    47    51  -0.17500 -1.0 2.0
   49    45    47    51   0.20800  1.0 3.0
   49    45    47    53   0.86500  1.0 1.0
   49    45    47    53  -0.17500 -1.0 2.0
   49    45    47    53   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   60    69    65    66  15.00000 -1.0 2.0
   67    68    66    65  15.00000 -1.0 2.0
END
