* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    107    169     313
    1     0 S   NP   _N1_     1    28.86240    95.86646   -21.93317
    2     1 S   H    _HN1     2     1.02780    95.56589   -84.66484
    3     1 S   H    _H1_     3     1.02952    77.45725    22.94892
    4     1 S   H    _H2_     4     1.02829    38.14799   163.26080
    5     1 S   CT   _CA1     5     1.50131   145.56744   130.80510
    6     5 S   HC   _HA1     6     1.09572   105.18707    79.96680
    7     5 S   CO3  _C1_     7     1.53774   112.44568   -40.19565
    8     7 S   O2Z  _O11     8     1.26368   115.03556   -41.38260
    9     7 S   O2Z  _O12     9     1.26242   114.96665   137.75488
   10     5 S   CT   _CB1    10     1.53087   107.40671  -162.07625
   11    10 S   HC   HB11    11     1.09826   109.33098   -49.59370
   12    10 S   HC   HB12    12     1.09817   110.42961    67.00084
   13    10 S   CT   _CG1    13     1.52984   112.67455  -170.63993
   14    13 S   HC   HG11    14     1.09557   110.47716   -64.94133
   15    13 S   HC   HG12    15     1.09663   109.92710    54.24482
   16    13 S   C    _CD1    16     1.51832   112.32931   174.52980
   17    16 S   O    _OE1    17     1.22727   123.29347     0.07133
   18    16 S   N    _N2_    18     1.38613   111.60083  -179.64502
   19    18 S   H    _HN2    19     1.01591   118.98621     1.32589
   20    18 S   CT1  _CA2    20     1.46318   123.51805   179.05415
   21    20 S   HC   _HA2    21     1.09733   109.37079    -2.66278
   22    20 S   C    _C2_    22     1.53468   108.76783  -118.18235
   23    22 S   O    _O2_    23     1.23047   122.32543  -150.46484
   24    20 S   CT   _CB2    32     1.53289   111.13130   119.34072
   25    24 S   HC   HB21    33     1.09564   109.53548    55.36718
   26    24 S   HC   HB22    34     1.09494   110.93618   174.08689
   27    22 S   N    _N3_    24     1.38353   113.64744    37.17746
   28    27 S   H    _HN3    25     1.01610   119.47157    -3.77823
   29    24 S   S    _SG2    35     1.82947   110.98034   -66.55551
   30    27 S   CT   _CA3    26     1.45281   123.18943   176.97327
   31    30 S   HC   HA31    27     1.09551   107.52740   -63.98834
   32    30 S   HC   HA32    28     1.09557   107.95945    52.43760
   33    29 S   CT   _C13    36     1.84720    99.76766   143.59349
   34    33 S   HC   _H3_    37     1.09206   106.04361   -46.38282
   35    30 S   CO3  _C3_    29     1.52945   114.09814   174.41103
   36    35 S   O2Z  _O31    30     1.26373   116.05149    -0.93649
   37    35 S   O2Z  _O32    31     1.26428   114.41676   179.12777
   38    33 S   CM   _C12    38     1.51128   108.06163  -162.43205
   39    33 S   CM   _C14    54     1.50893   108.73204    71.70584
   40    39 S   HC   _H10    55     1.09051   115.66442    53.10182
   41    38 S   CA   _C7_    39     1.47555   120.54164    82.80390
   42    38 S   CMA  _C11    52     1.35860   131.43662   -98.12286
   43    42 S   OM   _O36    53     1.25901   135.69773     1.31997
   44    39 S   CM   _C15    56     1.34119   127.94508  -124.50045
   45    41 S   CA   _C6_    40     1.38849   130.89129    -0.73966
   46    45 S   HA   _H6_    41     1.08455   121.75379     0.48295
   47    44 S   CO3  _C16    57     1.54961   125.85808    -2.32591
   48    47 S   O2Z  _O34    58     1.26165   116.72492   -38.00425
   49    47 S   O2Z  _O33    59     1.26723   113.86979   144.20449
   50    44 S   OH   _O35    60     1.38826   119.11476   176.10022
   51    50 S   HO   _H11    61     0.97496   106.30643  -173.02355
   52    45 S   CA   _C5_    42     1.39821   118.75938  -179.38930
   53    52 S   HA   _H5_    43     1.08681   119.70354   179.96574
   54    52 S   CA   _C4_    44     1.40232   120.71720     0.04423
   55    54 S   HA   _H4_    45     1.08657   119.60410   179.80820
   56    54 S   CA   _C9_    46     1.39478   120.46279    -0.13988
   57    56 S   HA   _H7_    47     1.08442   120.69709  -179.98022
   58    41 S   CA   _C8_    48     1.39711   109.10421   179.75451
   59    58 S   CT   _C10    49     1.49443   109.70536    -0.42613
   60    59 S   HC   _H8_    50     1.09667   110.16692   119.14606
   61    59 S   HC   _H9_    51     1.09663   110.17703  -118.68621
  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
  13   6   2   1   1  14   9   3  13   7   4   5   8   4   4   2
   1   1   1   6   3   5   3   5   2   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    42    39    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    58    59    42    43    39    40    44    47    50  
   38    41    42    39    40    44  
   36    37  
   37  
    0  
   41    45    46    52    56    58    59    60    61    42    43    39    40    44  
   40    44    47    48    49    50    51    41    42  
   44    47    50  
   45    46    52    53    54    56    57    58    59    60    61    42    43  
   43    45    56    58    59    60    61  
   58    59    60    61  
   47    48    49    50    51  
   46    52    53    54    55    56    58    59  
   52    53    54    58  
   48    49    50    51  
   49    50  
   50  
   51  
    0  
   53    54    55    56    57    58  
   54    55    56  
   55    56    57    58    59  
   56    57    58  
   57    58    59    60    61  
   58    59  
   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   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  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.910300   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   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    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   320.000  1.460
   38    42   465.000  1.376
   41    45   469.000  1.400
   41    58   469.000  1.400
   45    46   367.000  1.080
   45    52   469.000  1.400
   52    53   367.000  1.080
   52    54   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   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    42   270.000  1.512
   42    43   745.000  1.250
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    47   230.000  1.545
   44    50   510.000  1.338
   47    48   656.000  1.250
   47    49   656.000  1.250
   50    51   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    65.00000  118.87000
   33    38    42    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.93500
   38    41    58    60.00000  120.93500
   38    42    59    65.00000  122.18000
   38    42    43    65.00000  137.10300
   41    45    46    35.00000  120.00000
   41    45    52    63.00000  120.00000
   41    58    56    63.00000  120.00000
   41    58    59    70.00000  120.00000
   45    52    53    35.00000  120.00000
   45    52    54    63.00000  120.00000
   52    45    46    35.00000  120.00000
   52    54    55    35.00000  120.00000
   52    54    56    63.00000  120.00000
   54    52    53    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    70.00000  120.00000
   58    41    45    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    42    70.00000  112.99600
   59    42    43    85.00000  112.85300
   61    59    60    33.00000  107.80000
   42    38    41    60.00000  123.20500
   42    59    60    45.00000  110.52000
   42    59    61    45.00000  110.52000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    44    47    55.00000  124.75400
   39    44    50    80.00000  121.38400
   44    39    40    35.00000  120.00000
   44    47    48    85.00000  113.83300
   44    47    49    85.00000  113.83300
   44    50    51    70.00000  107.45700
   49    47    48    80.00000  126.00000
   50    44    47    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   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   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    39    40   0.00000  1.0 1.0
   29    33    39    44   0.42700  1.0 1.0
   29    33    39    44  -0.70350 -1.0 2.0
   29    33    39    44  -0.43150  1.0 3.0
   33    38    41    45  -0.02500  1.0 1.0
   33    38    41    45  -0.32150 -1.0 2.0
   33    38    41    45  -0.01500  1.0 3.0
   33    38    41    58  -0.02500  1.0 1.0
   33    38    41    58  -0.32150 -1.0 2.0
   33    38    41    58  -0.01500  1.0 3.0
   33    38    42    59   7.00000 -1.0 2.0
   33    38    42    43   7.00000 -1.0 2.0
   33    39    44    47   7.00000 -1.0 2.0
   33    39    44    50   7.00000 -1.0 2.0
   34    33    38    41   0.77000  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    44   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    44  -0.28300  1.0 1.0
   38    33    39    44   0.26700 -1.0 2.0
   38    33    39    44  -0.63300  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    52   3.62500 -1.0 2.0
   38    41    58    56   3.62500 -1.0 2.0
   38    41   -58    59   3.62500 -1.0 2.0
   41    38   -42    59   7.00000 -1.0 2.0
   41    38    42    43   7.00000 -1.0 2.0
   41    45    52    53   3.62500 -1.0 2.0
   41    45    52    54   3.62500 -1.0 2.0
   41    58    59    60   0.00000  1.0 1.0
   41    58    59    61   0.00000  1.0 1.0
   41    58   -59    42   0.18050 -1.0 2.0
   45    41    58    56   3.62500 -1.0 2.0
   45    41    58    59   3.62500 -1.0 2.0
   45    52    54    55   3.62500 -1.0 2.0
   45    52   -54    56   3.62500 -1.0 2.0
   46    45    52    53   3.62500 -1.0 2.0
   46    45    52    54   3.62500 -1.0 2.0
   52    54    56    57   3.62500 -1.0 2.0
   52    54    56    58   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    56   -58    41   3.62500 -1.0 2.0
   54    56    58    59   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    59    60   0.00000  1.0 1.0
   56    58    59    61   0.00000  1.0 1.0
   56    58    59    42   0.18050 -1.0 2.0
   57    56    58    41   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    41    45    46   3.62500 -1.0 2.0
   58    41   -45    52   3.62500 -1.0 2.0
   58    59   -42    38   1.44450  1.0 1.0
   58    59   -42    38   0.06600 -1.0 2.0
   58    59   -42    38   0.29250  1.0 3.0
   58    59    42    43   0.09700  1.0 1.0
   58    59    42    43   0.15600 -1.0 2.0
   58    59    42    43  -0.50800  1.0 3.0
   60    59    42    38   0.00000  1.0 1.0
   60    59    42    43   0.00000  1.0 1.0
   61    59    42    38   0.00000  1.0 1.0
   61    59    42    43   0.00000  1.0 1.0
   42    38    41    45   0.15800  1.0 1.0
   42    38    41    45   1.85350 -1.0 2.0
   42    38    41    45  -0.48700  1.0 3.0
   42    38   -41    58   0.15800  1.0 1.0
   42    38   -41    58   1.85350 -1.0 2.0
   42    38   -41    58  -0.48700  1.0 3.0
   39    33    38    41   0.09700  1.0 1.0
   39    33    38    41   0.15600 -1.0 2.0
   39    33    38    41  -0.50800  1.0 3.0
   39    33    38    42  -0.28300  1.0 1.0
   39    33    38    42   0.26700 -1.0 2.0
   39    33    38    42  -0.63300  1.0 3.0
   39    44    47    48  -0.04000 -1.0 2.0
   39    44    47    48  -0.29050  1.0 3.0
   39    44    47    49  -0.04000 -1.0 2.0
   39    44    47    49  -0.29050  1.0 3.0
   39    44    50    51  -0.66100  1.0 1.0
   39    44    50    51   1.20850 -1.0 2.0
   39    44    50    51  -0.36000  1.0 3.0
   40    39    44    47   7.00000 -1.0 2.0
   40    39    44    50   7.00000 -1.0 2.0
   47    44    50    51   2.00000 -1.0 2.0
   50    44    47    48   1.68800 -1.0 2.0
   50    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    41    38    42   1.10000 -1.0 2.0
   45    58    41    38   4.00000 -1.0 2.0
   52    46    45    41   1.10000 -1.0 2.0
   54    53    52    45   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   56    59    58    41   4.00000 -1.0 2.0
   59    43    42    38   1.10000 -1.0 2.0
   33    40    39    44  15.00000 -1.0 2.0
   47    50    44    39  15.00000 -1.0 2.0
   48    44    47    49  10.50000 -1.0 2.0
END
