* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    106    165     312
    1     0 S   NP   _N1_     1    28.93807    93.24546   -23.26881
    2     1 S   H    _HN1     2     1.02776   100.47197   -89.71955
    3     1 S   H    _H1_     3     1.03010    91.37215    19.10588
    4     1 S   H    _H2_     4     1.02815    21.27706   157.37624
    5     1 S   CT   _CA1     5     1.50088   131.15318   138.03928
    6     5 S   HC   _HA1     6     1.09583   105.17379    66.48290
    7     5 S   CO3  _C1_     7     1.53792   112.46130   -53.54832
    8     7 S   O2Z  _O11     8     1.26340   115.10851   -43.65473
    9     7 S   O2Z  _O12     9     1.26259   114.91405   135.43492
   10     5 S   CT   _CB1    10     1.53037   107.36256  -175.80497
   11    10 S   HC   HB11    11     1.09820   109.23066   -51.34304
   12    10 S   HC   HB12    12     1.09757   110.47943    65.15149
   13    10 S   CT   _CG1    13     1.52987   112.72831  -172.57379
   14    13 S   HC   HG11    14     1.09598   110.30649   -64.09023
   15    13 S   HC   HG12    15     1.09642   110.13893    55.17122
   16    13 S   C    _CD1    16     1.51768   112.19313   175.29980
   17    16 S   O    _OE1    17     1.22679   123.15241    -8.68921
   18    16 S   N    _N2_    18     1.38608   111.71144   172.22660
   19    18 S   H    _HN2    19     1.01545   119.01269     2.80121
   20    18 S   CT1  _CA2    20     1.46304   123.45886  -178.98009
   21    20 S   HC   _HA2    21     1.09574   109.26143     1.40458
   22    20 S   C    _C2_    22     1.53434   108.23462  -113.98817
   23    22 S   O    _O2_    23     1.23036   122.53961  -143.46373
   24    20 S   CT   _CB2    32     1.53405   111.35104   123.77804
   25    24 S   HC   HB21    33     1.09663   109.49652    60.70196
   26    24 S   HC   HB22    34     1.09442   111.41188   178.11498
   27    22 S   N    _N3_    24     1.38440   113.54347    43.50704
   28    27 S   H    _HN3    25     1.01604   119.53160    -2.72915
   29    24 S   S    _SG2    35     1.82851   113.37428   -58.05742
   30    27 S   CT   _CA3    26     1.45269   123.00593   177.14480
   31    30 S   HC   HA31    27     1.09558   107.40698   -65.81433
   32    30 S   HC   HA32    28     1.09562   108.05389    50.55819
   33    29 S   CT   _C14    36     1.84969   100.41478   -77.12857
   34    33 S   HC   _H3_    37     1.09344   106.80936    32.51027
   35    30 S   CO3  _C3_    29     1.52908   114.26699   172.57091
   36    35 S   O2Z  _O31    30     1.26347   116.14526    -3.40646
   37    35 S   O2Z  _O32    31     1.26449   114.38021   176.72081
   38    33 S   CM   _C13    38     1.51660   107.53414   148.82244
   39    38 S   HC   _H8_    39     1.09049   115.83055    54.06933
   40    33 S   CM   _C15    57     1.52674   110.01379   -87.20551
   41    40 S   Cl   Cl3_    58     1.75469   115.15666   -67.50782
   42    38 S   CMA  _C12    40     1.35317   125.85158  -124.80643
   43    42 S   OM   _O36    41     1.26173   132.31253    -1.03154
   44    40 S   CMA  _C16    59     1.35608   123.25332   112.58135
   45    44 S   OM   _O35    60     1.26405   132.56630    -0.19584
   46    42 S   CM   _C10    42     1.48395   116.95313   178.30349
   47    44 S   CO3  _C17    61     1.56019   115.55481  -179.58504
   48    47 S   O2Z  _O34    62     1.26824   115.27597    89.00008
   49    47 S   O2Z  _O33    63     1.26783   115.40514   -90.33020
   50    46 S   CA   _C9_    43     1.49186   118.63052   -99.71508
   51    46 S   CM   _C11    54     1.35657   122.30220    77.70901
   52    51 S   Cl   Cl1_    55     1.74214   122.63200     2.11702
   53    51 S   Cl   Cl2_    56     1.74190   123.15117  -177.99328
   54    50 S   CA   _C4_    44     1.40207   120.19363    81.36240
   55    54 S   HA   _H4_    45     1.08739   120.56282     0.39762
   56    54 S   CA   _C5_    46     1.39591   120.26325  -179.60189
   57    56 S   HA   _H5_    47     1.08686   119.36265  -179.98022
   58    56 S   CA   _C6_    48     1.39446   119.74032     0.32021
   59    58 S   Cl   Cl4_    49     1.72205   119.78626   179.88809
   60    58 S   CA   _C7_    50     1.39417   120.56440     0.10279
   61    60 S   HA   _H6_    51     1.08651   120.95994   179.74589
   62    50 S   CA   _C8_    52     1.40268   120.38412   -97.57708
   63    62 S   HA   _H7_    53     1.08763   120.40817    -0.30132
  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   8   5   4   3
  11   6   2   1   1   9   4   7   3   8   3   4   3  10   2   1
   1  12   4   1   1   8   4   6   3   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    50    51    40    41    44  
   42    43    46    40  
   41    44    45    47    48    49    42  
   44    45    47  
   43    46    50    54    62    51    52    53  
   46    50    51  
   45    47    48    49  
   47    48    49  
   50    54    55    56    60    62    63    51    52    53  
   48    49  
   49  
    0  
   54    55    56    57    58    60    61    62    63    51    52    53  
   52    53    54    62  
   53  
    0  
   55    56    57    58    59    60    62    63  
   56    57    58    62  
   57    58    59    60    61    62  
   58    59    60  
   59    60    61    62    63  
   60    61    62  
   61    62    63  
   62    63  
   63  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.481200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.4000   0.3000  -0.060000   2.1950   1.9500   0.001000000   0.320982824
   53   3.4000   0.3000  -0.060000   2.1950   1.9500   0.001000000   0.320982824
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   465.000  1.376
   46    50   320.000  1.460
   46    51   549.000  1.340
   50    54   469.000  1.400
   50    62   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   300.000  1.725
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   51    52   300.000  1.725
   51    53   300.000  1.725
   40    41   300.000  1.725
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    47   230.000  1.545
   47    48   656.000  1.250
   47    49   656.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    75.00000  111.02000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    70.00000  123.01800
   42    38    39    40.00000  120.50800
   42    46    50    60.00000  123.20500
   42    46    51    70.00000  117.34000
   46    42    43    65.00000  137.10300
   46    50    54    60.00000  120.93500
   46    50    62    60.00000  120.93500
   46    51    52    75.00000  121.50000
   46    51    53    75.00000  121.50000
   50    54    55    35.00000  120.00000
   50    54    56    63.00000  120.00000
   50    62    60    63.00000  120.00000
   50    62    63    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    75.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    75.00000  120.00000
   60    62    63    35.00000  120.00000
   62    50    54    63.00000  120.00000
   62    60    61    35.00000  120.00000
   51    46    50    60.00000  123.20500
   53    51    52    78.00000  111.70000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    47    55.00000  124.75400
   44    40    41    60.00000  123.80000
   44    47    48    85.00000  113.83300
   44    47    49    85.00000  113.83300
   47    44    45    65.00000  121.00000
   49    47    48    80.00000  126.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.09700  1.0 1.0
   29    33    40    41   0.15600 -1.0 2.0
   29    33    40    41  -0.50800  1.0 3.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.09700  1.0 1.0
   38    33    40    41   0.15600 -1.0 2.0
   38    33    40    41  -0.50800  1.0 3.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    50   7.00000 -1.0 2.0
   38    42    46    51   7.00000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    50    54   0.15800  1.0 1.0
   42    46    50    54   1.85350 -1.0 2.0
   42    46    50    54  -0.48700  1.0 3.0
   42    46    50    62   0.15800  1.0 1.0
   42    46    50    62   1.85350 -1.0 2.0
   42    46    50    62  -0.48700  1.0 3.0
   42    46    51    52   7.00000 -1.0 2.0
   42    46    51    53   7.00000 -1.0 2.0
   43    42    46    50   7.00000 -1.0 2.0
   43    42    46    51   7.00000 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50    54    56   3.62500 -1.0 2.0
   46    50    62    60   3.62500 -1.0 2.0
   46    50    62    63   3.62500 -1.0 2.0
   50    46    51    52   7.00000 -1.0 2.0
   50    46    51    53   7.00000 -1.0 2.0
   50    54    56    57   3.62500 -1.0 2.0
   50    54    56    58   3.62500 -1.0 2.0
   54    50    62    60   3.62500 -1.0 2.0
   54    50    62    63   3.62500 -1.0 2.0
   54    56    58    59   3.62500 -1.0 2.0
   54    56   -58    60   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58    60    62   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60   -62    50   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   61    60    62    50   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   62    50    54    55   3.62500 -1.0 2.0
   62    50   -54    56   3.62500 -1.0 2.0
   51    46    50    54   0.15800  1.0 1.0
   51    46    50    54   1.85350 -1.0 2.0
   51    46    50    54  -0.48700  1.0 3.0
   51    46    50    62   0.15800  1.0 1.0
   51    46    50    62   1.85350 -1.0 2.0
   51    46    50    62  -0.48700  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    47    48  -0.04000 -1.0 2.0
   40    44    47    48  -0.29050  1.0 3.0
   40    44    47    49  -0.04000 -1.0 2.0
   40    44    47    49  -0.29050  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   45    44    47    48   1.68800 -1.0 2.0
   45    44    47    49   1.68800 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   42    50    46    51  15.00000 -1.0 2.0
   54    62    50    46   4.00000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    59    58    56   4.00000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   60    63    62    50   1.10000 -1.0 2.0
   52    53    51    46  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   47    45    44    40  15.00000 -1.0 2.0
   48    44    47    49  10.50000 -1.0 2.0
END
