* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    107    169     313
    1     0 S   NP   _N1_     1    29.18251    94.30828   -24.05514
    2     1 S   H    _HN1     2     1.02974    86.72225    15.17667
    3     1 S   H    _H1_     3     1.02805    22.57387   169.90963
    4     1 S   H    _H2_     4     1.02773   106.62348   -92.95930
    5     1 S   CT   _CA1     5     1.50207   128.87847   128.64570
    6     5 S   HC   _HA1     6     1.09588   105.13714    75.01901
    7     5 S   CO3  _C1_     7     1.53805   112.51369   -44.79575
    8     7 S   O2Z  _O11     8     1.26358   115.05663   -38.53042
    9     7 S   O2Z  _O12     9     1.26273   114.94681   140.32014
   10     5 S   CT   _CB1    10     1.53032   107.20343  -167.33039
   11    10 S   HC   HB11    11     1.09817   108.99647   -51.63283
   12    10 S   HC   HB12    12     1.09819   110.41626    64.72690
   13    10 S   CT   _CG1    13     1.52971   112.95043  -172.98966
   14    13 S   HC   HG11    14     1.09596   110.20041   -66.70506
   15    13 S   HC   HG12    15     1.09643   110.22903    52.54681
   16    13 S   C    _CD1    16     1.51782   112.17505   172.40689
   17    16 S   O    _OE1    17     1.22725   123.23478   -12.85500
   18    16 S   N    _N2_    18     1.38657   111.83130   168.78674
   19    18 S   H    _HN2    19     1.01544   119.07739     2.85417
   20    18 S   CT1  _CA2    20     1.46066   123.19911  -179.26219
   21    20 S   HC   _HA2    21     1.09511   109.18505     6.91438
   22    20 S   C    _C2_    22     1.53581   109.25324  -108.41727
   23    22 S   O    _O2_    23     1.23103   122.17818  -147.95028
   24    20 S   CT   _CB2    32     1.53384   111.62824   129.11644
   25    24 S   HC   HB21    33     1.09693   109.28209    65.61933
   26    24 S   HC   HB22    34     1.09525   110.92308  -177.87459
   27    22 S   N    _N3_    24     1.38319   113.96403    39.41749
   28    27 S   H    _HN3    25     1.01574   119.63312    -2.88263
   29    24 S   S    _SG2    35     1.83184   115.33898   -53.46335
   30    27 S   CT   _CA3    26     1.45290   123.03337   177.00814
   31    30 S   HC   HA31    27     1.09556   107.46504   -64.78276
   32    30 S   HC   HA32    28     1.09562   107.99064    51.59394
   33    29 S   CT   _C13    36     1.84390   101.41825   -63.23522
   34    33 S   HC   _H3_    37     1.09331   106.75218    55.32156
   35    30 S   CO3  _C3_    29     1.52921   114.25371   173.61982
   36    35 S   O2Z  _O31    30     1.26347   116.12470    -1.44442
   37    35 S   O2Z  _O32    31     1.26444   114.38259   178.62941
   38    33 S   CM   _C11    38     1.51824   108.35556   172.47647
   39    33 S   CM   _C14    54     1.50986   109.70649   -64.46112
   40    39 S   HC   _H10    55     1.08871   116.26693   -56.20393
   41    38 S   CMA  _C12    39     1.36346   125.55667  -108.00057
   42    41 S   OM   _O33    40     1.26110   132.07349     0.22029
   43    38 S   CT   _C10    51     1.52061   120.35283    72.25563
   44    43 S   HC   _H8_    52     1.09390   111.63095    62.98844
   45    43 S   HC   _H9_    53     1.09365   111.74378   -61.65794
   46    39 S   CM   _C15    56     1.34165   125.18292   123.38877
   47    41 S   CA   _C7_    41     1.48837   104.41777   179.72305
   48    46 S   CO3  _C16    57     1.55015   122.22768  -179.72305
   49    48 S   O2Z  _O35    58     1.26288   116.80086     0.12820
   50    48 S   O2Z  _O34    59     1.26775   113.97656  -179.96574
   51    46 S   OH   _O36    60     1.38232   121.65767     0.10835
   52    51 S   HO   _H11    61     0.97560   106.16103   179.49332
   53    47 S   CA   _C6_    42     1.39142   129.41839  -179.66839
   54    53 S   HA   _H6_    43     1.08544   121.16151    -0.07913
   55    53 S   CA   _C5_    44     1.39837   118.92449   179.87333
   56    55 S   HA   _H5_    45     1.08660   119.68036  -180.00000
   57    55 S   CA   _C4_    46     1.40240   120.63485    -0.00000
   58    57 S   HA   _H4_    47     1.08649   119.67707   179.98022
   59    57 S   CA   _C9_    48     1.39493   120.47712    -0.02798
   60    59 S   HA   _H7_    49     1.08451   120.67680   179.98022
   61    47 S   CA   _C8_    50     1.39732   110.82553     0.19077
  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
  14   6   2   1   1  12   9   3  10   4   8   4   3   5   8   4
   2   1   1   1   7   4   6   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    61    43    44    45    39    40    46    48    51  
   38    41    43    39    40    46  
   36    37  
   37  
    0  
   41    42    47    53    59    61    43    44    45    39    40    46  
   40    46    48    49    50    51    52    41    43  
   46    48    51  
   42    47    53    54    55    59    61    43    44    45  
   47    53    61    43  
   44    45    47    53    57    59    60    61  
   45    47    59    61  
   47    59    61  
   48    49    50    51    52  
   53    54    55    56    57    59    60    61  
   49    50    51    52  
   50    51  
   51  
   52  
    0  
   54    55    56    57    58    59    61  
   55    56    57    61  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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    39   317.000  1.510
   38    41   465.000  1.376
   38    43   317.000  1.510
   41    42   745.000  1.250
   41    47   320.000  1.460
   47    53   469.000  1.400
   47    61   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    43   317.000  1.510
   43    44   340.000  1.090
   43    45   340.000  1.090
   39    40   340.000  1.080
   39    46   549.000  1.340
   46    48   230.000  1.545
   46    51   510.000  1.338
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    46    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    47    60.00000  123.20500
   38    43    61    70.00000  112.99600
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   41    47    53    60.00000  120.93500
   41    47    61    60.00000  120.93500
   47    41    42    85.00000  114.86500
   47    53    54    35.00000  120.00000
   47    53    55    63.00000  120.00000
   47    61    59    63.00000  120.00000
   47    61    43    70.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    43    70.00000  120.00000
   61    47    53    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    43    44    35.00000  109.50000
   61    43    45    35.00000  109.50000
   43    38    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    46    48    55.00000  124.75400
   39    46    51    80.00000  121.38400
   46    39    40    35.00000  120.00000
   46    48    49    85.00000  113.83300
   46    48    50    85.00000  113.83300
   46    51    52    70.00000  107.45700
   50    48    49    80.00000  126.00000
   51    46    48    80.00000  119.00000
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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.30250  1.0 1.0
   29    33    38    43  -0.14950 -1.0 2.0
   29    33    38    43   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    46   0.42700  1.0 1.0
   29    33    39    46  -0.70350 -1.0 2.0
   29    33    39    46  -0.43150  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    43    61   0.09700  1.0 1.0
   33    38    43    61   0.15600 -1.0 2.0
   33    38    43    61  -0.50800  1.0 3.0
   33    38    43    44   0.34800  1.0 3.0
   33    38    43    45   0.34800  1.0 3.0
   33    39    46    48   7.00000 -1.0 2.0
   33    39    46    51   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    43   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    46   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    46  -0.28300  1.0 1.0
   38    33    39    46   0.26700 -1.0 2.0
   38    33    39    46  -0.63300  1.0 3.0
   38    41    47    53   0.15800  1.0 1.0
   38    41    47    53   1.85350 -1.0 2.0
   38    41    47    53  -0.48700  1.0 3.0
   38    41   -47    61   0.15800  1.0 1.0
   38    41   -47    61   1.85350 -1.0 2.0
   38    41   -47    61  -0.48700  1.0 3.0
   41    38   -43    61   1.44450  1.0 1.0
   41    38   -43    61   0.06600 -1.0 2.0
   41    38   -43    61   0.29250  1.0 3.0
   41    38    43    44   0.00000  1.0 1.0
   41    38    43    45   0.00000  1.0 1.0
   41    47    53    54   3.62500 -1.0 2.0
   41    47    53    55   3.62500 -1.0 2.0
   41    47    61    59   3.62500 -1.0 2.0
   41    47   -61    43   3.62500 -1.0 2.0
   42    41    47    53  -0.01750  1.0 1.0
   42    41    47    53  -0.32000 -1.0 2.0
   42    41    47    53   0.00600  1.0 3.0
   42    41    47    61  -0.01750  1.0 1.0
   42    41    47    61  -0.32000 -1.0 2.0
   42    41    47    61   0.00600  1.0 3.0
   47    53    55    56   3.62500 -1.0 2.0
   47    53    55    57   3.62500 -1.0 2.0
   47    61   -43    38   0.18050 -1.0 2.0
   47    61    43    44   0.00000  1.0 1.0
   47    61    43    45   0.00000  1.0 1.0
   53    47    61    59   3.62500 -1.0 2.0
   53    47    61    43   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55   -57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59   -61    47   3.62500 -1.0 2.0
   57    59    61    43   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    43    38   0.18050 -1.0 2.0
   59    61    43    44   0.00000  1.0 1.0
   59    61    43    45   0.00000  1.0 1.0
   60    59    61    47   3.62500 -1.0 2.0
   60    59    61    43   3.62500 -1.0 2.0
   61    47    53    54   3.62500 -1.0 2.0
   61    47   -53    55   3.62500 -1.0 2.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38   -41    47   7.00000 -1.0 2.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   39    46    48    49  -0.04000 -1.0 2.0
   39    46    48    49  -0.29050  1.0 3.0
   39    46    48    50  -0.04000 -1.0 2.0
   39    46    48    50  -0.29050  1.0 3.0
   39    46    51    52  -0.66100  1.0 1.0
   39    46    51    52   1.20850 -1.0 2.0
   39    46    51    52  -0.36000  1.0 3.0
   40    39    46    48   7.00000 -1.0 2.0
   40    39    46    51   7.00000 -1.0 2.0
   48    46    51    52   2.00000 -1.0 2.0
   51    46    48    49   1.68800 -1.0 2.0
   51    46    48    50   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    43    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   53    61    47    41   4.00000 -1.0 2.0
   55    54    53    47   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   59    43    61    47   4.00000 -1.0 2.0
   33    40    39    46  15.00000 -1.0 2.0
   48    51    46    39  15.00000 -1.0 2.0
   49    46    48    50  10.50000 -1.0 2.0
END
