* LIGAND DATABASE FILE (OPLS2005)
*
001      60    61    110    166     320
    1     0 S   NP   _N1_     1    28.54893    94.58987   -24.01459
    2     1 S   H    _HN1     2     1.02960    82.91840    24.36250
    3     1 S   H    _H1_     3     1.02835    26.24526  -178.75337
    4     1 S   H    _H2_     4     1.02778   107.03699   -82.69935
    5     1 S   CT   _CA1     5     1.50116   130.84436   135.25230
    6     5 S   HC   _HA1     6     1.09576   105.22653    79.03021
    7     5 S   CO3  _C1_     7     1.53771   112.40640   -41.17060
    8     7 S   O2Z  _O11     8     1.26358   114.99370   -43.63088
    9     7 S   O2Z  _O12     9     1.26238   114.91173   135.54098
   10     5 S   CT   _CB1    10     1.53089   107.42710  -163.06998
   11    10 S   HC   HB11    11     1.09827   109.28764   -50.95654
   12    10 S   HC   HB12    12     1.09819   110.43362    65.57834
   13    10 S   CT   _CG1    13     1.53016   112.69727  -172.06298
   14    13 S   HC   HG11    14     1.09596   110.46793   -64.64824
   15    13 S   HC   HG12    15     1.09656   109.95620    54.58456
   16    13 S   C    _CD1    16     1.51819   112.30584   174.91161
   17    16 S   O    _OE1    17     1.22719   123.24606    -0.74860
   18    16 S   N    _N2_    18     1.38638   111.64833   179.53860
   19    18 S   H    _HN2    19     1.01571   119.00469     1.47007
   20    18 S   CT1  _CA2    20     1.46221   123.40388   179.37882
   21    20 S   HC   _HA2    21     1.09734   109.43566    -2.52491
   22    20 S   C    _C2_    22     1.53504   108.32924  -118.11835
   23    22 S   O    _O2_    23     1.23026   122.21160  -144.44766
   24    20 S   CT   _CB2    32     1.53382   111.57982   119.50206
   25    24 S   HC   HB21    33     1.09520   109.86696    56.61356
   26    24 S   HC   HB22    34     1.09518   110.06784   175.58794
   27    22 S   N    _N3_    24     1.38499   113.48238    42.75464
   28    27 S   H    _HN3    25     1.01501   118.96222    -0.60068
   29    24 S   S    _SG2    35     1.82668   111.64059   -64.52046
   30    27 S   CT   _CA3    26     1.45464   123.58940   175.31174
   31    30 S   HC   HA31    27     1.09511   109.46632    20.25284
   32    30 S   HC   HA32    28     1.09504   107.07646   137.28217
   33    29 S   CT   _C11    36     1.84243    99.66164  -177.06408
   34    33 S   HC   _H3_    37     1.09494   106.19265    45.20921
   35    30 S   CO3  _C3_    29     1.52903   112.90249  -103.37868
   36    35 S   O2Z  _O31    30     1.26420   115.30601   -47.03024
   37    35 S   O2Z  _O32    31     1.26340   115.04310   133.83903
   38    33 S   CM   _C5_    38     1.53214   109.58891   163.58397
   39    38 S   CM   _C4_    39     1.47981   114.10030    82.82709
   40    39 S   CM   _C6_    40     1.35297   120.53765    13.32756
   41    39 S   CT   _C9_    52     1.50353   113.19250  -165.56789
   42    41 S   HC   _H17    53     1.09670   109.24724    77.74092
   43    41 S   HC   _H18    54     1.09191   113.42399  -161.07490
   44    40 S   CT   _C12    41     1.52138   122.86845     6.47375
   45    44 S   HC   _H22    42     1.09761   108.36833  -116.38933
   46    40 S   CO4  _C8_    49     1.49428   120.33478  -168.87199
   47    46 S   O    _O13    50     1.22621   123.46824   172.61172
   48    46 S   HC   _H16    51     1.09784   116.95823    -4.89897
   49    41 S   CT   _C10    55     1.51278   107.29951   -42.24063
   50    49 S   HC   _H19    56     1.09517   109.87814  -178.99167
   51    49 S   HC   _H20    57     1.09771   112.46080   -59.56253
   52    33 S   NT   _N11    43     1.46171   113.81599   -70.83691
   53    52 S   H    _H26    44     1.01738   110.22150    56.43941
   54    44 S   CT   _C13    45     1.53615   112.43619   123.56589
   55    54 S   HC   _H23    46     1.09675   111.48355   -57.11187
   56    54 S   HC   _H24    47     1.09700   111.01477  -177.33230
   57    54 S   HC   _H25    48     1.09343   112.30377    63.79403
   58    49 S   OS   _O14    58     1.42215   110.11022    62.90920
   59    38 S   CMA  _C7_    59     1.37367   122.21777   -94.94846
   60    59 S   OM   _O33    60     1.26848   124.55010     0.06256
  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  13  17  16   9   5   4  10   7   4   1   1
   5   3   2   6   1   3   2   1   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    52    53    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    52    53    54    41    58    59    60  
   38    39    44    52    53    59  
   36    37  
   37  
    0  
   39    40    44    52    53    46    41    42    43    49    58    59    60  
   40    44    45    52    54    46    47    48    41    42    43    49    50    51    58    59    60  
   44    45    52    53    54    55    56    57    46    47    48    41    42    43    49    59  
   42    43    49    50    51    58    59    44    46  
   43    49    50    51    58  
   49    50    51    58  
   45    52    53    54    55    56    57    46    47    48  
   52    53    54    55    56    57    46  
   47    48    52    54  
   48  
    0  
   50    51    58    59    60  
   51    58    59  
   58    59  
   53    54    55    56    57    59  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    60  
   60  
    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   0.307500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   53   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   60   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
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    52   382.000  1.448
   38    39   380.000  1.444
   38    59   465.000  1.376
   39    40   549.000  1.340
   39    41   317.000  1.510
   40    44   317.000  1.510
   40    46   320.000  1.462
   44    45   340.000  1.090
   44    52   382.000  1.448
   44    54   268.000  1.529
   52    53   434.000  1.010
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    48   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   320.000  1.410
   58    59   440.000  1.360
   59    60   745.000  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    52    85.00000  109.00000
   33    38    39    70.00000  124.00000
   33    38    59    70.00000  124.00000
   33    52    44    51.80000  107.20000
   33    52    53    35.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    41    70.00000  124.00000
   38    59    58    80.00000  120.01400
   38    59    60    65.00000  137.10300
   39    40    44    70.00000  124.00000
   39    40    46    65.00000  118.96000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    49    70.00000  112.02700
   40    44    45    35.00000  109.50000
   40    44    52    75.00000  110.70900
   40    44    54    70.00000  112.02700
   40    46    47    80.00000  123.72100
   40    46    48    40.00000  115.75000
   44    52    53    35.00000  109.50000
   44    54    55    37.50000  110.70000
   44    54    56    37.50000  110.70000
   44    54    57    37.50000  110.70000
   52    33    34    35.00000  109.50000
   52    33    38    75.00000  110.70900
   52    44    45    35.00000  109.50000
   54    44    45    37.50000  110.70000
   54    44    52    56.20000  109.47000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    40    44    65.00000  116.34900
   48    46    47    35.00000  123.00000
   41    39    40    70.00000  124.00000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    58    50.00000  109.50000
   43    41    42    33.00000  107.80000
   49    41    42    37.50000  110.70000
   49    41    43    37.50000  110.70000
   49    58    59    90.00000  111.18400
   51    49    50    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    51    35.00000  109.50000
   58    59    60    65.00000  121.00000
   59    38    39    70.00000  117.34000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    59   0.42700  1.0 1.0
   29    33    38    59  -0.70350 -1.0 2.0
   29    33    38    59  -0.43150  1.0 3.0
   29    33    52    44   0.23200  1.0 1.0
   29    33    52    44   0.02100 -1.0 2.0
   29    33    52    44   0.24950  1.0 3.0
   29    33    52    53  -0.05900  1.0 1.0
   29    33    52    53   0.08350 -1.0 2.0
   29    33    52    53   0.12500  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38    39    41   0.35650  1.0 1.0
   33    38    39    41   0.31450 -1.0 2.0
   33    38    59    58   7.00000 -1.0 2.0
   33    38    59    60   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    52    44   0.28000  1.0 3.0
   34    33    52    53   0.20000  1.0 3.0
   38    33    52    44  -0.60800  1.0 1.0
   38    33    52    44   1.10050 -1.0 2.0
   38    33    52    44   0.47000  1.0 3.0
   38    33    52    53   0.12450  1.0 1.0
   38    33    52    53  -0.40750 -1.0 2.0
   38    33    52    53   0.30300  1.0 3.0
   38    39   -40    44   7.00000 -1.0 2.0
   38    39    40    46   7.00000 -1.0 2.0
   38    39    41    42   0.00000  1.0 1.0
   38    39    41    43   0.00000  1.0 1.0
   38    39    41    49   0.98200  1.0 1.0
   38    39    41    49  -0.11900 -1.0 2.0
   38    39    41    49   0.24250  1.0 3.0
   39    38    59    58   7.00000 -1.0 2.0
   39    38    59    60   7.00000 -1.0 2.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    52   0.90200  1.0 1.0
   39    40    44    52   0.57900 -1.0 2.0
   39    40    44    52  -0.62100  1.0 3.0
   39    40    44    54   0.09850  1.0 1.0
   39    40    44    54   0.15250 -1.0 2.0
   39    40    44    54  -0.50650  1.0 3.0
   39    40    46    47   1.00000 -1.0 2.0
   39    40    46    48  -0.79650  1.0 1.0
   39    40    46    48   1.60950 -1.0 2.0
   39    40    46    48  -0.26250  1.0 3.0
   39    41    49    50   0.15000  1.0 3.0
   39    41    49    51   0.15000  1.0 3.0
   39    41   -49    58   0.61850  1.0 1.0
   39    41   -49    58  -0.22750 -1.0 2.0
   39    41   -49    58   0.15300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    49   0.09850  1.0 1.0
   40    39    41    49   0.15250 -1.0 2.0
   40    39    41    49  -0.50650  1.0 3.0
   40    44   -52    33  -0.60800  1.0 1.0
   40    44   -52    33   1.10050 -1.0 2.0
   40    44   -52    33   0.47000  1.0 3.0
   40    44    52    53   0.12450  1.0 1.0
   40    44    52    53  -0.40750 -1.0 2.0
   40    44    52    53   0.30300  1.0 3.0
   40    44    54    55   0.15000  1.0 3.0
   40    44    54    56   0.15000  1.0 3.0
   40    44    54    57   0.15000  1.0 3.0
   44    40    46    47  -0.64400  1.0 1.0
   44    40    46    47   0.26850 -1.0 2.0
   44    40    46    48  -0.07900  1.0 1.0
   44    40    46    48   0.77700 -1.0 2.0
   44    40    46    48   0.13200  1.0 3.0
   45    44    52    33   0.28000  1.0 3.0
   45    44    52    53   0.20000  1.0 3.0
   45    44    54    55   0.15000  1.0 3.0
   45    44    54    56   0.15000  1.0 3.0
   45    44    54    57   0.15000  1.0 3.0
   52    33   -38    39   0.90200  1.0 1.0
   52    33   -38    39   0.57900 -1.0 2.0
   52    33   -38    39  -0.62100  1.0 3.0
   52    33    38    59   0.90200  1.0 1.0
   52    33    38    59   0.57900 -1.0 2.0
   52    33    38    59  -0.62100  1.0 3.0
   52    44    54    55   0.15000  1.0 3.0
   52    44    54    56   0.15000  1.0 3.0
   52    44    54    57   0.15000  1.0 3.0
   54    44    52    33   0.23450  1.0 1.0
   54    44    52    33   0.02050 -1.0 2.0
   54    44    52    33   0.25250  1.0 3.0
   54    44    52    53  -0.05950  1.0 1.0
   54    44    52    53   0.08850 -1.0 2.0
   54    44    52    53   0.11750  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    52   0.09700  1.0 1.0
   46    40    44    52   0.15600 -1.0 2.0
   46    40    44    52  -0.50800  1.0 3.0
   46    40    44    54   0.09700  1.0 1.0
   46    40    44    54   0.15600 -1.0 2.0
   46    40    44    54  -0.50800  1.0 3.0
   41    39    40    44   7.00000 -1.0 2.0
   41    39    40    46   7.00000 -1.0 2.0
   41    49    58    59  -0.46850  1.0 1.0
   41    49    58    59   0.09300 -1.0 2.0
   41    49    58    59  -0.12850  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    58   0.23400  1.0 3.0
   43    41    49    50   0.15000  1.0 3.0
   43    41    49    51   0.15000  1.0 3.0
   43    41    49    58   0.23400  1.0 3.0
   49    58   -59    38  -2.26850  1.0 1.0
   49    58   -59    38   3.39050 -1.0 2.0
   49    58    59    60   2.00000 -1.0 2.0
   50    49    58    59   0.08050  1.0 3.0
   51    49    58    59   0.08050  1.0 3.0
   59    38    39    40   0.28850  1.0 1.0
   59    38    39    40   2.61350 -1.0 2.0
   59    38    39    40   0.78400  1.0 3.0
   59    38   -39    41  -0.18600  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    39    38    59   1.10000 -1.0 2.0
   38    41    39    40   1.10000 -1.0 2.0
   46    44    40    39   1.10000 -1.0 2.0
   40    48    46    47  10.50000 -1.0 2.0
   58    60    59    38   1.10000 -1.0 2.0
END
