* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    140    214     405
    1     0 S   NP   _N1_     1    28.83501    97.87328   -21.35914
    2     1 S   H    _HN1     2     1.02785    93.60062  -100.55254
    3     1 S   H    _H1_     3     1.02950    64.85880     8.05552
    4     1 S   H    _H2_     4     1.02829    51.83610   149.44939
    5     1 S   CT   _CA1     5     1.50107   153.35971    93.66293
    6     5 S   HC   _HA1     6     1.09572   105.20622   103.29069
    7     5 S   CO3  _C1_     7     1.53792   112.45482   -16.96208
    8     7 S   O2Z  _O11     8     1.26371   115.00917   -42.85755
    9     7 S   O2Z  _O12     9     1.26240   114.94681   136.30247
   10     5 S   CT   _CB1    10     1.53082   107.42478  -138.72054
   11    10 S   HC   HB11    11     1.09831   109.39015   -49.79466
   12    10 S   HC   HB12    12     1.09813   110.44043    66.81729
   13    10 S   CT   _CG1    13     1.52984   112.59376  -170.77823
   14    13 S   HC   HG11    14     1.09584   110.61351   -65.14451
   15    13 S   HC   HG12    15     1.09669   109.80550    54.08262
   16    13 S   C    _CD1    16     1.51796   112.25750   174.54396
   17    16 S   O    _OE1    17     1.22727   123.30062     5.87777
   18    16 S   N    _N2_    18     1.38645   111.64223  -174.22898
   19    18 S   H    _HN2    19     1.01579   118.93110     1.88813
   20    18 S   CT1  _CA2    20     1.46189   123.40367   177.77296
   21    20 S   HC   _HA2    21     1.09731   109.42685     2.11063
   22    20 S   C    _C2_    22     1.53563   108.54297  -113.45658
   23    22 S   O    _O2_    23     1.23060   122.31226  -147.34185
   24    20 S   CT   _CB2    32     1.53393   111.52828   124.23115
   25    24 S   HC   HB21    33     1.09381   109.57811    56.89305
   26    24 S   HC   HB22    34     1.09442   109.57816   175.64014
   27    22 S   N    _N3_    24     1.38325   113.67708    40.03307
   28    27 S   H    _HN3    25     1.01588   119.59098    -3.24691
   29    24 S   S    _SG2    35     1.83098   111.35026   -65.12791
   30    27 S   CT   _CA3    26     1.45282   123.18473   177.17603
   31    30 S   HC   HA31    27     1.09550   107.50313   -64.78531
   32    30 S   HC   HA32    28     1.09558   107.99273    51.65112
   33    29 S   CT   _C13    36     1.86845   101.96190   169.52394
   34    30 S   CO3  _C3_    29     1.52953   114.08617   173.65687
   35    34 S   O2Z  _O31    30     1.26375   116.06945    -0.60652
   36    34 S   O2Z  _O32    31     1.26428   114.40974   179.45607
   37    33 S   CM   _C12    37     1.51849   108.40064    52.54522
   38    37 S   HC   _H11    38     1.09068   115.85561    53.70411
   39    33 S   CT   _C14    65     1.54012   107.53705   -73.18852
   40    39 S   HC   _H12    66     1.09675   111.48239   -57.98541
   41    39 S   HC   _H13    67     1.09562   111.61915  -177.33097
   42    39 S   HC   _H14    68     1.09489   112.63303    63.14795
   43    33 S   CT   _C15    69     1.54786   104.98664   169.43674
   44    43 S   HC   _H15    70     1.09761   111.20188    62.42210
   45    43 S   HC   _H16    71     1.09867   111.15040   -57.02438
   46    37 S   CM   _C11    39     1.34431   127.10837  -126.70586
   47    46 S   HC   _H10    40     1.08642   119.43529    -0.09065
   48    43 S   CO4  _C16    72     1.51205   113.41418  -177.59556
   49    48 S   O    _O35    73     1.22736   123.25688   120.41293
   50    48 S   HC   _H17    74     1.10227   116.24521   -61.69086
   51    46 S   C3T  _C10    41     1.48634   125.77694   179.32507
   52    51 S   CT   _C9_    42     1.54418   117.24726    93.06887
   53    51 S   O3T  _O34    52     1.44261   120.77374   -51.12626
   54    52 S   CT   _C8_    43     1.54436   111.28746   175.10775
   55    54 S   HC   _H8_    44     1.09692   110.76508  -173.80261
   56    54 S   HC   _H9_    45     1.09696   111.77913    67.07532
   57    52 S   CT   _C17    57     1.54460   110.33091    54.01156
   58    57 S   HC   _H18    58     1.09589   111.59234   -65.05242
   59    57 S   HC   _H19    59     1.09588   111.21226   175.32387
   60    57 S   HC   _H20    60     1.09566   111.48368    54.74395
   61    52 S   CT   _C18    61     1.54232   110.28666   -66.04216
   62    61 S   HC   _H21    62     1.09413   111.77579    64.31390
   63    61 S   HC   _H22    63     1.09593   111.13070   -55.69622
   64    61 S   HC   _H23    64     1.09601   111.17907  -175.90691
   65    54 S   CO4  _C7_    46     1.50741   111.10731   -52.95121
   66    65 S   O    _O33    47     1.23141   121.22084  -127.68965
   67    65 S   CT   _C6_    48     1.50602   117.47829    57.09773
   68    67 S   HC   _H6_    49     1.09583   107.77487    93.38803
   69    67 S   HC   _H7_    50     1.09644   107.08502  -150.49839
   70    51 S   C3T  _C5_    51     1.54312   116.53227  -117.21114
   71    70 S   CT   _C4_    53     1.50334   121.94258    13.17236
   72    71 S   HC   _H3_    54     1.09336   112.61013    32.38947
   73    71 S   HC   _H4_    55     1.09461   110.04431   -88.39154
   74    71 S   HC   _H5_    56     1.09525   110.46597   152.20987
  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
  15   2   1   1  15   5   8   3   2   1   6   4   3  10   4   2
   1   1  22  17  12  16   6   5   9   3   2   1   5   2   1   1
   6   4   7   3   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    70    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    54    67    70    53    71    57    61  
   51    52    70    53  
   49    50  
   50  
    0  
   52    54    55    56    65    67    68    69    70    53    71    72    73    74    57    58    59    60    61    62    63    64  
   54    55    56    65    66    67    70    53    71    57    58    59    60    61    62    63    64  
   71    72    73    74    57    61    54    65    67    68    69    70  
   55    56    65    66    67    68    69    70    57    58    59    60    61    62    63    64  
   56    65    66    67    57    61  
   65    66    67    57    61  
   58    59    60    61    62    63    64    65    70  
   59    60    61  
   60    61  
   61  
   62    63    64    65    70  
   63    64  
   64  
    0  
   66    67    68    69    70    71  
   67    68    69    70  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   305.000  1.480
   51    52   275.000  1.510
   51    70   260.000  1.509
   51    53   335.000  1.432
   52    54   268.000  1.529
   52    57   268.000  1.529
   52    61   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   275.000  1.510
   70    53   335.000  1.432
   70    71   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    50   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    51    55.00000  125.06700
   46    37    38    35.00000  120.00000
   46    51    52    65.00000  117.55000
   46    51    70    60.00000  120.58800
   46    51    53    85.00000  114.23300
   51    46    47    40.00000  117.24000
   51    52    54    70.00000  112.37300
   51    52    57    70.00000  112.37300
   51    52    61    70.00000  112.37300
   51    70    67    60.00000  120.94000
   51    70    53    15.00000   60.43100
   51    70    71    60.00000  120.94000
   51    53    70    15.00000   59.14900
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    65    63.00000  111.10000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   54    65    66    80.00000  120.40000
   54    65    67    70.00000  116.00000
   56    54    55    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    56    35.00000  109.50000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    63.00000  111.10000
   67    65    66    80.00000  120.40000
   67    70    53    80.00000  116.47100
   67    70    71    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    51    52    60.00000  120.94000
   70    67    68    45.00000  109.38400
   70    67    69    45.00000  109.38400
   70    71    72    45.00000  109.38400
   70    71    73    45.00000  109.38400
   70    71    74    45.00000  109.38400
   53    51    52    80.00000  116.47100
   53    51    70    15.00000   60.43100
   71    70    53    80.00000  116.47100
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    52    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    52    54    58.35000  112.70000
   61    52    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    50    35.00000  115.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    35.00000  123.00000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    50   0.74550  1.0 1.0
   33    43    48    50  -0.00500 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52   0.09850  1.0 1.0
   37    46    51    52   0.15250 -1.0 2.0
   37    46    51    52  -0.50650  1.0 3.0
   37    46    51    70   0.09850  1.0 1.0
   37    46    51    70   0.15250 -1.0 2.0
   37    46    51    70  -0.50650  1.0 3.0
   37    46    51    53   0.39000  1.0 1.0
   37    46    51    53  -0.05800 -1.0 2.0
   37    46    51    53  -0.55150  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    52    54   0.34400  1.0 1.0
   46    51    52    54   0.09450 -1.0 2.0
   46    51    52    54   0.11100  1.0 3.0
   46    51    52    57   0.34400  1.0 1.0
   46    51    52    57   0.09450 -1.0 2.0
   46    51    52    57   0.11100  1.0 3.0
   46    51    52    61   0.34400  1.0 1.0
   46    51    52    61   0.09450 -1.0 2.0
   46    51    52    61   0.11100  1.0 3.0
   46    51    70    67   0.34400  1.0 1.0
   46    51    70    67   0.09450 -1.0 2.0
   46    51    70    67   0.11100  1.0 3.0
   46    51   -70    53   0.61850  1.0 1.0
   46    51   -70    53  -0.22750 -1.0 2.0
   46    51   -70    53   0.15300  1.0 3.0
   46    51    70    71   0.34400  1.0 1.0
   46    51    70    71   0.09450 -1.0 2.0
   46    51    70    71   0.11100  1.0 3.0
   46    51   -53    70  -0.77900  1.0 1.0
   46    51   -53    70  -0.36900 -1.0 2.0
   46    51   -53    70   0.40400  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    70   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    52    54    55   0.15000  1.0 3.0
   51    52    54    56   0.15000  1.0 3.0
   51    52    54    65  -0.95700  1.0 1.0
   51    52    54    65  -0.18200 -1.0 2.0
   51    52    54    65   0.29450  1.0 3.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    59   0.15000  1.0 3.0
   51    52    57    60   0.15000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52    61    63   0.15000  1.0 3.0
   51    52    61    64   0.15000  1.0 3.0
   51    70    71    72   0.15000  1.0 3.0
   51    70    71    73   0.15000  1.0 3.0
   51    70    71    74   0.15000  1.0 3.0
   52    51    70    67   0.56750  1.0 1.0
   52    51    70    67  -0.07550 -1.0 2.0
   52    51    70    67   0.20000  1.0 3.0
   52    51   -70    53   0.02550  1.0 1.0
   52    51   -70    53  -0.02600 -1.0 2.0
   52    51   -70    53   1.20400  1.0 3.0
   52    51    70    71   0.56750  1.0 1.0
   52    51    70    71  -0.07550 -1.0 2.0
   52    51    70    71   0.20000  1.0 3.0
   52    51   -53    70   0.06250  1.0 1.0
   52    51   -53    70  -0.01100 -1.0 2.0
   52    51   -53    70   0.28050  1.0 3.0
   52    54    65    66   0.30150 -1.0 2.0
   52    54   -65    67   0.60050  1.0 1.0
   52    54   -65    67   0.05600 -1.0 2.0
   52    54   -65    67   0.26150  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    60   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    64   0.15000  1.0 3.0
   54    65    67    68   0.00000  1.0 1.0
   54    65    67    69   0.00000  1.0 1.0
   54    65    67    70   0.60050  1.0 1.0
   54    65    67    70   0.05600 -1.0 2.0
   54    65    67    70   0.26150  1.0 3.0
   55    54    65    66   0.00000  1.0 1.0
   55    54    65    67   0.00000  1.0 1.0
   56    54    65    66   0.00000  1.0 1.0
   56    54    65    67   0.00000  1.0 1.0
   65    67   -70    51  -0.95700  1.0 1.0
   65    67   -70    51  -0.18200 -1.0 2.0
   65    67   -70    51   0.29450  1.0 3.0
   65    67    70    53  -0.09450  1.0 1.0
   65    67    70    53  -1.12950 -1.0 2.0
   65    67    70    53   0.54000  1.0 3.0
   65    67    70    71  -0.95700  1.0 1.0
   65    67    70    71  -0.18200 -1.0 2.0
   65    67    70    71   0.29450  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70   -53    51   0.06250  1.0 1.0
   67    70   -53    51  -0.01100 -1.0 2.0
   67    70   -53    51   0.28050  1.0 3.0
   67    70    71    72   0.15000  1.0 3.0
   67    70    71    73   0.15000  1.0 3.0
   67    70    71    74   0.15000  1.0 3.0
   68    67    70    51   0.15000  1.0 3.0
   68    67    70    53   0.23400  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   69    67    70    51   0.15000  1.0 3.0
   69    67    70    53   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   70    51   -52    54   0.07850  1.0 1.0
   70    51   -52    54  -0.03950 -1.0 2.0
   70    51   -52    54   0.67350  1.0 3.0
   70    51    52    57   0.07850  1.0 1.0
   70    51    52    57  -0.03950 -1.0 2.0
   70    51    52    57   0.67350  1.0 3.0
   70    51    52    61   0.07850  1.0 1.0
   70    51    52    61  -0.03950 -1.0 2.0
   70    51    52    61   0.67350  1.0 3.0
   53    51    52    54   0.02550  1.0 1.0
   53    51    52    54  -0.02600 -1.0 2.0
   53    51    52    54   1.20400  1.0 3.0
   53    51    52    57   0.02550  1.0 1.0
   53    51    52    57  -0.02600 -1.0 2.0
   53    51    52    57   1.20400  1.0 3.0
   53    51    52    61   0.02550  1.0 1.0
   53    51    52    61  -0.02600 -1.0 2.0
   53    51    52    61   1.20400  1.0 3.0
   53    51   -70    67   0.02550  1.0 1.0
   53    51   -70    67  -0.02600 -1.0 2.0
   53    51   -70    67   1.20400  1.0 3.0
   53    51   -70    71   0.02550  1.0 1.0
   53    51   -70    71  -0.02600 -1.0 2.0
   53    51   -70    71   1.20400  1.0 3.0
   53    70    71    72   0.23400  1.0 3.0
   53    70    71    73   0.23400  1.0 3.0
   53    70    71    74   0.23400  1.0 3.0
   71    70   -53    51   0.06250  1.0 1.0
   71    70   -53    51  -0.01100 -1.0 2.0
   71    70   -53    51   0.28050  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    65  -0.95700  1.0 1.0
   57    52    54    65  -0.18200 -1.0 2.0
   57    52    54    65   0.29450  1.0 3.0
   57    52    61    62   0.15000  1.0 3.0
   57    52    61    63   0.15000  1.0 3.0
   57    52    61    64   0.15000  1.0 3.0
   61    52    54    55   0.15000  1.0 3.0
   61    52    54    56   0.15000  1.0 3.0
   61    52    54    65  -0.95700  1.0 1.0
   61    52    54    65  -0.18200 -1.0 2.0
   61    52    54    65   0.29450  1.0 3.0
   61    52    57    58   0.15000  1.0 3.0
   61    52    57    59   0.15000  1.0 3.0
   61    52    57    60   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   54    67    65    66  10.50000 -1.0 2.0
   43    50    48    49  10.50000 -1.0 2.0
END
