* LIGAND DATABASE FILE (OPLS2005)
*
001      66    66    119    172     343
    1     0 S   NP   _N1_     1    28.92496    96.38930   -20.67201
    2     1 S   H    _HN1     2     1.02952    78.43404    29.89385
    3     1 S   H    _H1_     3     1.02831    43.05126   160.99850
    4     1 S   H    _H2_     4     1.02780    87.67277   -79.39311
    5     1 S   CT   _CA1     5     1.50111   152.75270   142.16048
    6     5 S   HC   _HA1     6     1.09579   105.18319    72.72742
    7     5 S   CO3  _C1_     7     1.53735   112.53675   -47.38856
    8     7 S   O2Z  _O11     8     1.26360   115.01721   -41.10677
    9     7 S   O2Z  _O12     9     1.26244   114.90414   138.06332
   10     5 S   CT   _CB1    10     1.53078   107.43278  -169.38617
   11    10 S   HC   HB11    11     1.09823   109.19871   -50.96916
   12    10 S   HC   HB12    12     1.09817   110.48122    65.58712
   13    10 S   CT   _CG1    13     1.52976   112.67258  -172.09609
   14    13 S   HC   HG11    14     1.09612   110.44111   -66.84995
   15    13 S   HC   HG12    15     1.09669   109.94004    52.37804
   16    13 S   C    _CD1    16     1.51803   112.39286   172.64523
   17    16 S   O    _OE1    17     1.22715   123.34180     0.63612
   18    16 S   N    _N2_    18     1.38607   111.53085  -179.16444
   19    18 S   H    _HN2    19     1.01595   118.92978     0.93503
   20    18 S   CT1  _CA2    20     1.46252   123.50868   178.79228
   21    20 S   HC   _HA2    21     1.09735   109.40866    -7.17422
   22    20 S   C    _C2_    22     1.53419   108.39931  -122.63554
   23    22 S   O    _O2_    23     1.23027   122.40522  -148.27469
   24    20 S   CT   _CB2    32     1.53269   111.22961   114.98668
   25    24 S   HC   HB21    33     1.09546   109.65372    54.90692
   26    24 S   HC   HB22    34     1.09500   110.81594   173.44683
   27    22 S   N    _N3_    24     1.38375   113.48471    39.28609
   28    27 S   H    _HN3    25     1.01633   119.48895    -3.65339
   29    24 S   S    _SG2    35     1.82873   111.17017   -67.50699
   30    27 S   CT   _CA3    26     1.45283   123.15047   176.95033
   31    30 S   HC   HA31    27     1.09551   107.53793   -63.61408
   32    30 S   HC   HA32    28     1.09558   107.93854    52.79850
   33    29 S   CT   _C9_    36     1.83211   100.06267   136.06612
   34    33 S   HC   _H3_    37     1.09553   110.42882   -41.86439
   35    30 S   CO3  _C3_    29     1.52938   114.11961   174.77359
   36    35 S   O2Z  _O31    30     1.26369   116.05620    -0.70221
   37    35 S   O2Z  _O32    31     1.26429   114.41264   179.35109
   38    33 S   CM   _C7_    38     1.51520   109.54302  -161.47988
   39    38 S   CMA  _C5_    39     1.36018   123.27211  -103.36863
   40    39 S   OM   _O13    40     1.26343   129.90380  -178.55017
   41    38 S   CT   _C12    51     1.52682   115.06094    78.19972
   42    41 S   HC   _H25    52     1.09720   110.62815  -155.83392
   43    41 S   HC   _H26    53     1.09678   109.90748   -40.30217
   44    39 S   CM   _C6_    41     1.48157   117.89786     0.15066
   45    41 S   CT   _C14    54     1.53244   112.09762    81.91416
   46    45 S   HC   _H29    55     1.09650   110.17389   -60.42070
   47    45 S   HC   _H30    56     1.09717   109.73768    57.08929
   48    44 S   CM   _C4_    42     1.34025   123.13311   -13.03322
   49    48 S   HC   _H17    43     1.08326   122.23791  -175.06501
   50    44 S   OS   _O15    46     1.39531   117.79182   172.60856
   51    45 S   CT   _C15    57     1.53038   111.24369   178.28685
   52    51 S   HC   _H31    58     1.09652   109.55587    59.55138
   53    51 S   HC   _H32    59     1.09679   109.57326   -57.77372
   54    33 S   CO4  _C8_    44     1.51838   108.06517    75.23395
   55    54 S   O    _O14    45     1.23106   122.25315   -78.66675
   56    50 S   CT   _C11    47     1.42768   110.62521  -101.56196
   57    56 S   HC   _H22    48     1.09395   107.88530   175.91865
   58    56 S   HC   _H23    49     1.09550   111.30603    57.39091
   59    56 S   HC   _H24    50     1.09517   111.00393   -65.83093
   60    51 S   CT   _C13    60     1.52850   111.24907  -179.06393
   61    60 S   HC   _H27    61     1.09621   109.83904   -60.26512
   62    60 S   HC   _H28    62     1.09626   109.84467    57.41935
   63    60 S   CT   _C10    63     1.52012   111.60852   178.46150
   64    63 S   HC   _H19    64     1.09466   111.01869   -59.86061
   65    63 S   HC   _H20    65     1.09449   110.24635  -179.59652
   66    63 S   HC   _H21    66     1.09386   111.06032    60.69828
  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  11   4  11   5   4   9   9   5   4   5
   3   5   9   5   4   1   1   3   2   1   1   6   5   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    49    54    55    41    42    43    45  
   38    39    48    54    55    41  
   36    37  
   37  
    0  
   39    40    44    48    54    55    50    41    42    43    45    46    47    51  
   40    44    48    49    54    50    56    41    42    43    45  
   44    48    50    41  
   42    43    45    46    47    51    52    53    60    44    54  
   43    45    46    47    51  
   45    46    47    51  
   48    49    54    55    50    56    57    58    59  
   46    47    51    52    53    60    61    62    63  
   47    51    52    53    60  
   51    52    53    60  
   49    54    55    50    56  
   54    55    50  
   56    57    58    59    54  
   52    53    60    61    62    63    64    65    66  
   53    60    61    62    63  
   60    61    62    63  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    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   2.4200   0.0150   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   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    54   317.000  1.522
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    48   549.000  1.340
   44    50   440.000  1.360
   48    49   340.000  1.080
   48    54   320.000  1.462
   54    55   570.000  1.229
   50    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    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    54    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    54    48    65.00000  118.62400
   33    54    55    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    45    70.00000  112.02700
   39    44    48    70.00000  117.34000
   39    44    50    80.00000  120.01400
   44    39    40    65.00000  137.10300
   44    48    49    35.00000  120.00000
   44    48    54    65.00000  118.96000
   44    50    56    90.00000  111.18400
   48    54    55    80.00000  123.72100
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  109.06800
   54    48    49    40.00000  117.72500
   50    44    48    80.00000  120.01400
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    51    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    60    58.35000  112.70000
   47    45    46    33.00000  107.80000
   51    45    46    37.50000  110.70000
   51    45    47    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    58.35000  112.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    54    48   0.65300  1.0 1.0
   29    33    54    48  -0.03850 -1.0 2.0
   29    33    54    48   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    45   0.46850  1.0 1.0
   33    38    41    45   0.08550 -1.0 2.0
   33    38    41    45   0.09800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    54    48   0.00000  1.0 1.0
   34    33    54    55   0.00000  1.0 1.0
   38    33    54    48   0.65300  1.0 1.0
   38    33    54    48  -0.03850 -1.0 2.0
   38    33    54    48   0.33900  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
   38    39   -44    48   7.00000 -1.0 2.0
   38    39    44    50   7.00000 -1.0 2.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    51   0.34400  1.0 1.0
   38    41    45    51   0.09450 -1.0 2.0
   38    41    45    51   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    45   0.09850  1.0 1.0
   39    38    41    45   0.15250 -1.0 2.0
   39    38    41    45  -0.50650  1.0 3.0
   39    44    48    49   7.00000 -1.0 2.0
   39    44    48    54   7.00000 -1.0 2.0
   39    44    50    56  -2.26850  1.0 1.0
   39    44    50    56   3.39050 -1.0 2.0
   40    39    44    48   7.00000 -1.0 2.0
   40    39    44    50   7.00000 -1.0 2.0
   44    48   -54    33  -0.33500  1.0 1.0
   44    48   -54    33   1.06600 -1.0 2.0
   44    48   -54    33  -0.14000  1.0 3.0
   44    48    54    55   1.00000 -1.0 2.0
   44    50    56    57   0.08050  1.0 3.0
   44    50    56    58   0.08050  1.0 3.0
   44    50    56    59   0.08050  1.0 3.0
   48    44    50    56  -2.26850  1.0 1.0
   48    44    50    56   3.39050 -1.0 2.0
   49    48    54    33   0.04550  1.0 1.0
   49    48    54    33   0.83000 -1.0 2.0
   49    48    54    33  -0.04000  1.0 3.0
   49    48    54    55   0.00000  1.0 1.0
   54    33   -38    39  -0.51250  1.0 1.0
   54    33   -38    39  -0.88800 -1.0 2.0
   54    33   -38    39   0.08850  1.0 3.0
   54    33    38    41   0.17250  1.0 1.0
   54    33    38    41  -0.04100 -1.0 2.0
   54    33    38    41  -0.33850  1.0 3.0
   50    44    48    49   7.00000 -1.0 2.0
   50    44    48    54   7.00000 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    45    51    52   0.15000  1.0 3.0
   41    45    51    53   0.15000  1.0 3.0
   41    45    51    60   0.56750  1.0 1.0
   41    45    51    60  -0.07550 -1.0 2.0
   41    45    51    60   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    51   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    51   0.15000  1.0 3.0
   45    51    60    61   0.15000  1.0 3.0
   45    51    60    62   0.15000  1.0 3.0
   45    51    60    63   0.56750  1.0 1.0
   45    51    60    63  -0.07550 -1.0 2.0
   45    51    60    63   0.20000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    60   0.15000  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    53   0.15000  1.0 3.0
   47    45    51    60   0.15000  1.0 3.0
   51    60    63    64   0.15000  1.0 3.0
   51    60    63    65   0.15000  1.0 3.0
   51    60    63    66   0.15000  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    63   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    50    44    48   1.10000 -1.0 2.0
   54    49    48    44   1.10000 -1.0 2.0
   33    48    54    55  10.50000 -1.0 2.0
END
