* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    216     416
    1     0 S   NP   _N1_     1    28.76565    96.11208   -22.69428
    2     1 S   H    _HN1     2     1.02828    37.20712   158.78224
    3     1 S   H    _H1_     3     1.02787   100.02599   -94.78290
    4     1 S   H    _H2_     4     1.02952    75.63626    11.76978
    5     1 S   CT   _CA1     5     1.50119   142.17697   116.66241
    6     5 S   HC   _HA1     6     1.09573   105.20090    84.95609
    7     5 S   CO3  _C1_     7     1.53795   112.42947   -35.29633
    8     7 S   O2Z  _O11     8     1.26377   115.00599   -43.06857
    9     7 S   O2Z  _O12     9     1.26238   114.94815   136.03848
   10     5 S   CT   _CB1    10     1.53076   107.41798  -157.05510
   11    10 S   HC   HB11    11     1.09835   109.39897   -49.57514
   12    10 S   HC   HB12    12     1.09815   110.43744    67.03691
   13    10 S   CT   _CG1    13     1.52992   112.60255  -170.54319
   14    13 S   HC   HG11    14     1.09585   110.63122   -65.17042
   15    13 S   HC   HG12    15     1.09669   109.79955    54.06665
   16    13 S   C    _CD1    16     1.51799   112.20726   174.53707
   17    16 S   O    _OE1    17     1.22734   123.28355     6.66603
   18    16 S   N    _N2_    18     1.38643   111.68108  -173.48675
   19    18 S   H    _HN2    19     1.01592   118.97148     1.77376
   20    18 S   CT1  _CA2    20     1.46224   123.40097   177.97880
   21    20 S   HC   _HA2    21     1.09739   109.36897     2.84434
   22    20 S   C    _C2_    22     1.53572   108.69463  -112.66627
   23    22 S   O    _O2_    23     1.23066   122.25388  -148.52515
   24    20 S   CT   _CB2    32     1.53557   111.54840   124.83164
   25    24 S   HC   HB21    33     1.09429   109.15334    56.13571
   26    24 S   HC   HB22    34     1.09276   109.66424   174.97913
   27    22 S   N    _N3_    24     1.38322   113.74659    38.96720
   28    27 S   H    _HN3    25     1.01582   119.58676    -3.38819
   29    24 S   S    _SG2    35     1.82985   110.94344   -64.35213
   30    27 S   CT   _CA3    26     1.45283   123.20174   177.12438
   31    30 S   HC   HA31    27     1.09549   107.52286   -64.38702
   32    30 S   HC   HA32    28     1.09556   107.96892    52.04576
   33    29 S   CT   _C14    36     1.88658   103.36930  -174.63239
   34    30 S   CO3  _C3_    29     1.52955   114.09418   174.04823
   35    34 S   O2Z  _O31    30     1.26375   116.07751    -0.12820
   36    34 S   O2Z  _O32    31     1.26429   114.40766   179.92338
   37    33 S   CT   _C10    37     1.54091   111.86874   -44.20380
   38    37 S   HC   _H24    38     1.09729   110.73916   176.92795
   39    37 S   HC   _H25    39     1.09491   112.23317    59.26157
   40    33 S   CT   _C18    71     1.54803   105.43401    72.31539
   41    40 S   HC   _H38    72     1.09346   113.12167    59.72867
   42    40 S   HC   _H39    73     1.09550   111.78921   -61.03692
   43    40 S   HC   _H40    74     1.09340   112.18898  -178.40701
   44    37 S   CO4  _C5_    40     1.50602   111.83795   -63.83345
   45    44 S   O    _O16    41     1.23006   121.65916   130.91621
   46    44 S   CT   _C9_    42     1.50483   116.39371   -54.15154
   47    46 S   HC   _H22    43     1.09687   107.89686   170.49823
   48    46 S   HC   _H23    44     1.09496   108.06588   -73.82363
   49    46 S   CT   _C12    45     1.53798   111.80503    49.77782
   50    49 S   HC   _H28    46     1.09773   106.67552    67.53095
   51    33 S   CT   _C13    47     1.61114   108.68297  -164.86565
   52    49 S   CT   _C17    67     1.53450   107.70132   179.50465
   53    52 S   HC   _H35    68     1.09330   112.28733    67.69694
   54    52 S   HC   _H36    69     1.09661   110.28289   -51.48317
   55    52 S   HC   _H37    70     1.09207   111.56255  -169.06116
   56    51 S   CT   _C8_    48     1.55705   112.00213  -171.26486
   57    56 S   HC   _H20    49     1.09140   112.45641    30.31277
   58    56 S   HC   _H21    50     1.09289   111.52544   -90.46547
   59    56 S   CM   _C4_    51     1.50793   106.57131   147.14391
   60    59 S   CT   _C7_    52     1.50121   109.64702   -16.58683
   61    60 S   HC   _H18    53     1.09368   111.17430   118.68799
   62    60 S   HC   _H19    54     1.09558   111.42941  -120.68537
   63    59 S   CM   _C6_    58     1.34998   125.47406   162.26160
   64    51 S   CT   _C11    55     1.55485   112.21435   -57.45929
   65    64 S   HC   _H26    56     1.09600   112.42971    89.11040
   66    64 S   HC   _H27    57     1.09387   111.88665   -30.31606
   67    63 S   CT   _C15    59     1.50664   123.45592     1.99361
   68    67 S   HC   _H29    60     1.09540   110.07581   125.57252
   69    67 S   HC   _H30    61     1.09492   110.06735  -115.04150
   70    67 S   HC   _H31    62     1.09289   113.46802     5.87863
   71    63 S   CT   _C16    63     1.50714   123.15044  -178.40627
   72    71 S   HC   _H32    64     1.09519   110.01990   121.15120
   73    71 S   HC   _H33    65     1.09514   110.10642  -119.44090
   74    71 S   HC   _H34    66     1.09314   113.44033     0.92047
  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
  22   2   1   1  15   6   5   8   3   2   1   8   4  11   5   4
  14   7  15   5   2   1   1  12   5   4  15   8   5   4   9   2
   1   1   7   3   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    44    49    51    56    64    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    49    50    51    56    57    58    59    60    64    65    66    52    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    51    56    64    40    41    42    43  
   39    44    45    46    51    40  
   44    45    46    51    40  
   41    42    43    44    49    51    56    64  
   42    43    51  
   43    51  
   51  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49    50    51    56    64    52    53    54    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    56    57    58    59    60    64    65    66    52    53    54    55  
   51    56    64    52    53    54    55  
   56    57    58    59    60    61    62    64    65    66    63    52    53    54    55  
   53    54    55    56    64  
   54    55  
   55  
    0  
   57    58    59    60    61    62    64    65    66    63    67    71  
   58    59    60    64    63  
   59    60    64    63  
   60    61    62    64    65    66    63    67    68    69    70    71    72    73    74  
   61    62    64    65    66    63    67    71  
   62    64    65    66    63  
   64    65    66    63  
   67    68    69    70    71    72    73    74    64  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   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  -0.120000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   268.000  1.529
   51    64   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   317.000  1.510
   59    63   549.000  1.340
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   63    67   317.000  1.510
   63    71   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    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    44    63.00000  111.10000
   33    51    49    58.35000  112.70000
   33    51    56    58.35000  112.70000
   33    51    64    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    49    63.00000  111.10000
   46    44    45    80.00000  120.40000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    51    64    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    70.00000  112.02700
   51    64    60    58.35000  112.70000
   51    64    65    37.50000  110.70000
   51    64    66    37.50000  110.70000
   56    59    60    65.00000  117.92700
   56    59    63    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    64    70.00000  112.02700
   59    63    67    70.00000  124.00000
   59    63    71    70.00000  124.00000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   62    60    61    33.00000  107.80000
   64    51    56    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   63    59    60    70.00000  124.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    63    67    65.00000  117.92700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    56   0.44750  1.0 1.0
   29    33    51    56  -0.17800 -1.0 2.0
   29    33    51    56   0.20200  1.0 3.0
   29    33    51    64   0.44750  1.0 1.0
   29    33    51    64  -0.17800 -1.0 2.0
   29    33    51    64   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
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    46   0.60050  1.0 1.0
   33    37    44    46   0.05600 -1.0 2.0
   33    37    44    46   0.26150  1.0 3.0
   33    51    56    57   0.15000  1.0 3.0
   33    51    56    58   0.15000  1.0 3.0
   33    51    56    59   0.34400  1.0 1.0
   33    51    56    59   0.09450 -1.0 2.0
   33    51    56    59   0.11100  1.0 3.0
   33    51    64    60   0.56750  1.0 1.0
   33    51    64    60  -0.07550 -1.0 2.0
   33    51    64    60   0.20000  1.0 3.0
   33    51    64    65   0.15000  1.0 3.0
   33    51    64    66   0.15000  1.0 3.0
   37    33    51    49   0.56750  1.0 1.0
   37    33    51    49  -0.07550 -1.0 2.0
   37    33    51    49   0.20000  1.0 3.0
   37    33    51    56   0.56750  1.0 1.0
   37    33    51    56  -0.07550 -1.0 2.0
   37    33    51    56   0.20000  1.0 3.0
   37    33    51    64   0.56750  1.0 1.0
   37    33    51    64  -0.07550 -1.0 2.0
   37    33    51    64   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    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.00000  1.0 1.0
   37    44    46    48   0.00000  1.0 1.0
   37    44   -46    49   0.60050  1.0 1.0
   37    44   -46    49   0.05600 -1.0 2.0
   37    44   -46    49   0.26150  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    46   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    46   0.00000  1.0 1.0
   44    46    49    50  -0.11250  1.0 3.0
   44    46    49    51  -0.95700  1.0 1.0
   44    46    49    51  -0.18200 -1.0 2.0
   44    46    49    51   0.29450  1.0 3.0
   44    46    49    52  -0.95700  1.0 1.0
   44    46    49    52  -0.18200 -1.0 2.0
   44    46    49    52   0.29450  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    46    49   0.30150 -1.0 2.0
   46    49   -51    33   0.56750  1.0 1.0
   46    49   -51    33  -0.07550 -1.0 2.0
   46    49   -51    33   0.20000  1.0 3.0
   46    49    51    56   0.56750  1.0 1.0
   46    49    51    56  -0.07550 -1.0 2.0
   46    49    51    56   0.20000  1.0 3.0
   46    49    51    64   0.56750  1.0 1.0
   46    49    51    64  -0.07550 -1.0 2.0
   46    49    51    64   0.20000  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    58   0.15000  1.0 3.0
   49    51    56    59   0.34400  1.0 1.0
   49    51    56    59   0.09450 -1.0 2.0
   49    51    56    59   0.11100  1.0 3.0
   49    51    64    60   0.56750  1.0 1.0
   49    51    64    60  -0.07550 -1.0 2.0
   49    51    64    60   0.20000  1.0 3.0
   49    51    64    65   0.15000  1.0 3.0
   49    51    64    66   0.15000  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    51    64   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   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    44  -0.95700  1.0 1.0
   51    33   -37    44  -0.18200 -1.0 2.0
   51    33   -37    44   0.29450  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    33    40    43   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    56   -59    60   0.46850  1.0 1.0
   51    56   -59    60   0.08550 -1.0 2.0
   51    56   -59    60   0.09800  1.0 3.0
   51    56    59    63   0.09850  1.0 1.0
   51    56    59    63   0.15250 -1.0 2.0
   51    56    59    63  -0.50650  1.0 3.0
   56    51   -64    60   0.56750  1.0 1.0
   56    51   -64    60  -0.07550 -1.0 2.0
   56    51   -64    60   0.20000  1.0 3.0
   56    51    64    65   0.15000  1.0 3.0
   56    51    64    66   0.15000  1.0 3.0
   56    59    60    61   0.34800  1.0 3.0
   56    59    60    62   0.34800  1.0 3.0
   56    59   -60    64   0.46850  1.0 1.0
   56    59   -60    64   0.08550 -1.0 2.0
   56    59   -60    64   0.09800  1.0 3.0
   56    59    63    67   7.00000 -1.0 2.0
   56    59    63    71   7.00000 -1.0 2.0
   57    56    59    60   0.34800  1.0 3.0
   57    56    59    63   0.00000  1.0 1.0
   58    56    59    60   0.34800  1.0 3.0
   58    56    59    63   0.00000  1.0 1.0
   59    60   -64    51   0.34400  1.0 1.0
   59    60   -64    51   0.09450 -1.0 2.0
   59    60   -64    51   0.11100  1.0 3.0
   59    60    64    65   0.15000  1.0 3.0
   59    60    64    66   0.15000  1.0 3.0
   59    63    67    68   0.00000  1.0 1.0
   59    63    67    69   0.00000  1.0 1.0
   59    63    67    70   0.00000  1.0 1.0
   59    63    71    72   0.00000  1.0 1.0
   59    63    71    73   0.00000  1.0 1.0
   59    63    71    74   0.00000  1.0 1.0
   60    59    63    67   7.00000 -1.0 2.0
   60    59    63    71   7.00000 -1.0 2.0
   61    60    64    51   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   62    60    64    51   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   64    51    56    57   0.15000  1.0 3.0
   64    51    56    58   0.15000  1.0 3.0
   64    51   -56    59   0.34400  1.0 1.0
   64    51   -56    59   0.09450 -1.0 2.0
   64    51   -56    59   0.11100  1.0 3.0
   63    59    60    61   0.00000  1.0 1.0
   63    59    60    62   0.00000  1.0 1.0
   63    59    60    64   0.09850  1.0 1.0
   63    59    60    64   0.15250 -1.0 2.0
   63    59    60    64  -0.50650  1.0 3.0
   67    63    71    72   0.34800  1.0 3.0
   67    63    71    73   0.34800  1.0 3.0
   67    63    71    74   0.34800  1.0 3.0
   71    63    67    68   0.34800  1.0 3.0
   71    63    67    69   0.34800  1.0 3.0
   71    63    67    70   0.34800  1.0 3.0
   52    49    51    33   0.56750  1.0 1.0
   52    49    51    33  -0.07550 -1.0 2.0
   52    49    51    33   0.20000  1.0 3.0
   52    49    51    56   0.56750  1.0 1.0
   52    49    51    56  -0.07550 -1.0 2.0
   52    49    51    56   0.20000  1.0 3.0
   52    49    51    64   0.56750  1.0 1.0
   52    49    51    64  -0.07550 -1.0 2.0
   52    49    51    64   0.20000  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    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    51    49   0.56750  1.0 1.0
   40    33    51    49  -0.07550 -1.0 2.0
   40    33    51    49   0.20000  1.0 3.0
   40    33    51    56   0.56750  1.0 1.0
   40    33    51    56  -0.07550 -1.0 2.0
   40    33    51    56   0.20000  1.0 3.0
   40    33    51    64   0.56750  1.0 1.0
   40    33    51    64  -0.07550 -1.0 2.0
   40    33    51    64   0.20000  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    46    44    45  10.50000 -1.0 2.0
   56    60    59    63   1.10000 -1.0 2.0
   67    71    63    59   1.10000 -1.0 2.0
END
