* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    152    227     443
    1     0 S   NP   _N1_     1    28.83338    94.41045   -22.53646
    2     1 S   H    _HN1     2     1.02962    86.30753    27.89168
    3     1 S   H    _H1_     3     1.02833    26.99047   168.53123
    4     1 S   H    _H2_     4     1.02777    99.31918   -80.09825
    5     1 S   CT   _CA1     5     1.50126   135.95525   143.68525
    6     5 S   HC   _HA1     6     1.09577   105.21622    70.91318
    7     5 S   CO3  _C1_     7     1.53773   112.42603   -49.23391
    8     7 S   O2Z  _O11     8     1.26354   115.00250   -42.89736
    9     7 S   O2Z  _O12     9     1.26242   114.91737   136.26672
   10     5 S   CT   _CB1    10     1.53092   107.41447  -171.22175
   11    10 S   HC   HB11    11     1.09824   109.24730   -51.18181
   12    10 S   HC   HB12    12     1.09821   110.43327    65.33230
   13    10 S   CT   _CG1    13     1.53015   112.72965  -172.33241
   14    13 S   HC   HG11    14     1.09596   110.40649   -64.78847
   15    13 S   HC   HG12    15     1.09653   110.01271    54.44314
   16    13 S   C    _CD1    16     1.51809   112.32027   174.70668
   17    16 S   O    _OE1    17     1.22724   123.26426    -3.01467
   18    16 S   N    _N2_    18     1.38642   111.67506   177.35551
   19    18 S   H    _HN2    19     1.01586   119.07266     0.60263
   20    18 S   CT1  _CA2    20     1.46092   123.29655   179.69610
   21    20 S   HC   _HA2    21     1.09562   109.27095    -9.03518
   22    20 S   C    _C2_    22     1.53493   108.64162  -124.13661
   23    22 S   O    _O2_    23     1.23028   122.14602  -147.55017
   24    20 S   CT   _CB2    32     1.53371   111.71708   113.43901
   25    24 S   HC   HB21    33     1.09674   109.42561    60.85431
   26    24 S   HC   HB22    34     1.09501   111.02254   177.77077
   27    22 S   N    _N3_    24     1.38488   113.47547    39.97951
   28    27 S   H    _HN3    25     1.01515   118.91028    -0.90244
   29    24 S   S    _SG2    35     1.82981   114.72482   -58.56327
   30    27 S   CT   _CA3    26     1.45449   123.52825   174.74868
   31    30 S   HC   HA31    27     1.09516   109.34997    22.67661
   32    30 S   HC   HA32    28     1.09498   107.11750   139.72268
   33    29 S   CT   _C7_    36     1.81133   100.75754   -66.64462
   34    33 S   HC   _H3_    37     1.09226   113.26243    54.58801
   35    30 S   CO3  _C3_    29     1.52919   112.94875  -100.84719
   36    35 S   O2Z  _O31    30     1.26414   115.33994   -45.85535
   37    35 S   O2Z  _O32    31     1.26341   115.02322   134.99991
   38    33 S   CM   _C4_    38     1.49615   112.27692   -73.70084
   39    38 S   HC   _H6_    39     1.08244   123.32219    65.87463
   40    38 S   CMA  _C5_    40     1.34247   112.94985  -115.77780
   41    40 S   OM   _O40    41     1.25531   133.74297  -179.22292
   42    40 S   N    _N4_    42     1.38738   108.02822     0.56579
   43    33 S   C    _C6_    43     1.52019   109.20133   176.02605
   44    43 S   O    _O33    44     1.22413   125.17709   -62.77272
   45    42 S   CT   _C8_    45     1.46195   126.66321  -178.98509
   46    45 S   HC   _H7_    46     1.09734   107.51287  -155.05503
   47    45 S   HC   _H8_    47     1.09504   109.12014   -39.61914
   48    45 S   CT   _C9_    48     1.52764   111.45821    85.17707
   49    48 S   HC   _H9_    49     1.09476   111.76850   -60.96014
   50    48 S   HC   _H10    50     1.09579   109.60187    57.00716
   51    48 S   S    _S1_    51     1.82284   112.09057   175.99249
   52    51 S   CT   _C10    52     1.83131    99.58735    74.42800
   53    52 S   HC   _H11    53     1.09484   108.09802    54.37174
   54    52 S   HC   _H12    54     1.09404   108.23347   -62.44891
   55    52 S   CT1  _C11    55     1.53699   112.96065   176.44460
   56    55 S   HC   _H4_    56     1.09792   108.27923   177.32687
   57    55 S   C    _C12    57     1.53005   112.55177   -63.83366
   58    57 S   O    _O34    58     1.22999   122.81090   107.86760
   59    55 S   N    _N6_    67     1.45824   112.58563    59.30519
   60    59 S   H    _H16    68     1.01639   117.58037  -101.36230
   61    57 S   N    _N5_    59     1.38424   112.78268   -71.27872
   62    61 S   H    _H13    60     1.01645   120.40632    -1.49672
   63    59 S   C    _C15    69     1.38493   122.94634    76.98311
   64    63 S   O    _O37    70     1.22747   124.82445     1.22413
   65    61 S   CT   _C13    61     1.45346   122.44992   179.10343
   66    65 S   HC   _H14    62     1.09569   107.63798   -58.81437
   67    65 S   HC   _H15    63     1.09563   107.77911    57.51358
   68    63 S   CT   _C16    71     1.51881   111.77651  -178.14112
   69    68 S   HC   _H17    72     1.09573   107.46869    60.14188
   70    68 S   HC   _H18    73     1.09577   108.04183   -56.15314
   71    65 S   CO3  _C14    64     1.52881   114.32023   179.29668
   72    71 S   O2Z  _O36    65     1.26332   116.05800    -3.42320
   73    71 S   O2Z  _O35    66     1.26433   114.41686   176.65549
   74    68 S   CT   _C17    74     1.53105   112.17779  -178.14480
   75    74 S   HC   _H19    75     1.09787   108.98669    55.97250
   76    74 S   HC   _H20    76     1.09838   109.09849   -58.85050
   77    74 S   CT   _C18    77     1.53233   114.40404   178.55788
   78    77 S   HC   _H5_    78     1.09709   108.17358   178.01082
   79    77 S   CO3  _C19    79     1.54168   114.87685   -63.76912
   80    79 S   O2Z  _O39    80     1.26484   114.58296   145.38374
   81    79 S   O2Z  _O38    81     1.26165   115.84678   -35.44553
   82    77 S   NP   _N7_    82     1.50074   108.90437    65.13862
   83    82 S   H    _H21    83     1.02939   109.70347   174.26462
   84    82 S   H    _H22    84     1.02767   112.40119    54.05243
   85    82 S   H    _H23    85     1.02794   111.54087   -68.16308
  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
   9   6   2   1   1   7   4   8   3   9   5   1   7   5   4   7
   3   2   7  10   5   4  11   6  10   4   8   3   7   4   8   4
   5   4   3   9   5   4   2   1   1  11   5   4   8   7   6   2
   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42    43  
   41    42    43    44    45    46    47    48  
   42    43    45  
   43    44    45    46    47    48    49    50    51  
   44    45    46    47    48  
   45  
   46    47    48    49    50    51    52  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52    53    54    55    56    57    59  
   53    54    55    56    57    58    61    59    60    63  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    61    62    65    59    60    63    64    68  
   57    58    61    59    60    63  
   58    61    62    65    66    67    71    59    60    63  
   61    62    65    59  
   60    63    64    68    69    70    74    61  
   63    64    68  
   62    65    66    67    71    72    73  
   65    66    67    71  
   64    68    69    70    74    75    76    77  
   68    69    70    74  
   66    67    71    72    73  
   67    71    72    73  
   71    72    73  
   69    70    74    75    76    77    78    79    82  
   70    74    75    76    77  
   74    75    76    77  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    79    82  
   77    78    79    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.592500   1.8100   1.6000   0.054801302  -1.445846770
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   52   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   80   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   81   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   82   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
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    43   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   400.000  1.384
   42    43   490.000  1.335
   42    45   337.000  1.449
   43    44   570.000  1.229
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   222.000  1.810
   51    52   222.000  1.810
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    59   337.000  1.449
   57    58   570.000  1.229
   57    61   490.000  1.335
   61    62   434.000  1.010
   61    65   337.000  1.449
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.522
   71    72   656.000  1.250
   71    73   656.000  1.250
   59    60   434.000  1.010
   59    63   490.000  1.335
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   317.000  1.522
   77    82   367.000  1.471
   79    80   656.000  1.250
   79    81   656.000  1.250
   82    83   434.000  1.010
   82    84   434.000  1.010
   82    85   434.000  1.010
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    43    70.00000  112.33000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    70.00000  116.60000
   33    43    44    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    75.00000  120.83300
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  120.89900
   40    42    45    70.00000  119.94800
   42    40    41   110.00000  107.01400
   42    43    44    80.00000  122.90000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    70.00000  110.72300
   43    33    34    35.00000  109.50000
   43    33    38    70.00000  115.00700
   45    42    43    50.00000  121.90000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    75.00000  111.63000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    62.00000   98.90000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  109.50000
   51    52    54    35.00000  109.50000
   51    52    55    75.00000  108.68000
   52    55    56    37.50000  110.70000
   52    55    57    63.00000  111.10000
   52    55    59    80.00000  109.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    80.00000  120.40000
   55    57    61    70.00000  116.60000
   55    59    60    38.00000  118.40000
   55    59    63    50.00000  121.90000
   57    55    56    35.00000  109.50000
   57    61    62    35.00000  119.80000
   57    61    65    50.00000  121.90000
   61    57    58    80.00000  122.90000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    71    63.00000  110.10000
   65    61    62    38.00000  118.40000
   65    71    72    70.00000  117.00000
   65    71    73    70.00000  117.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   73    71    72    80.00000  126.00000
   59    55    56    35.00000  109.50000
   59    55    57    63.00000  110.10000
   59    63    64    80.00000  122.90000
   59    63    68    70.00000  116.60000
   63    59    60    35.00000  119.80000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    74    63.00000  111.10000
   68    63    64    80.00000  120.40000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    70.00000  109.69300
   74    77    82    80.00000  111.20000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    79    80    70.00000  117.00000
   77    79    81    70.00000  117.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   79    77    78    35.00000  109.50000
   81    79    80    80.00000  126.00000
   82    77    78    35.00000  109.50000
   82    77    79    80.00000  109.26000
   84    82    83    35.00000  109.50000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.00000  1.0 1.0
   29    33    43    44   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.00000  1.0 1.0
   34    33    43    44   0.00000  1.0 1.0
   38    33   -43    42   0.00000  1.0 1.0
   38    33    43    44   0.30150 -1.0 2.0
   38    40   -42    43  -0.18900  1.0 1.0
   38    40   -42    43   1.70900 -1.0 2.0
   38    40    42    45  -0.88150  1.0 1.0
   38    40    42    45   2.95600 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.67100  1.0 1.0
   40    42   -43    33   1.42150 -1.0 2.0
   40    42   -43    33   0.18700  1.0 3.0
   40    42    43    44   2.67200 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    47   0.00000  1.0 1.0
   40    42    45    48  -0.05900 -1.0 2.0
   41    40    42    43  -0.56400  1.0 1.0
   41    40    42    43   0.77500 -1.0 2.0
   41    40    42    43   0.18700  1.0 3.0
   41    40    42    45   1.00000 -1.0 2.0
   42    45    48    49   0.15000  1.0 3.0
   42    45    48    50   0.15000  1.0 3.0
   42    45    48    51   0.56750  1.0 1.0
   42    45    48    51  -0.07550 -1.0 2.0
   42    45    48    51   0.20000  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40  -0.51250  1.0 1.0
   43    33   -38    40  -0.88800 -1.0 2.0
   43    33   -38    40   0.08850  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    48  -0.43950  1.0 1.0
   43    42    45    48  -0.08100 -1.0 2.0
   43    42    45    48   0.03350  1.0 3.0
   45    42    43    33   1.49850  1.0 1.0
   45    42    43    33   1.53950 -1.0 2.0
   45    42    43    44   3.04450 -1.0 2.0
   45    48    51    52   0.01700  1.0 1.0
   45    48    51    52  -0.23550 -1.0 2.0
   45    48    51    52   0.21350  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    52    53   0.32350  1.0 3.0
   48    51    52    54   0.32350  1.0 3.0
   48    51    52    55   0.01700  1.0 1.0
   48    51    52    55  -0.23550 -1.0 2.0
   48    51    52    55   0.21350  1.0 3.0
   49    48    51    52   0.32350  1.0 3.0
   50    48    51    52   0.32350  1.0 3.0
   51    52    55    56   0.15000  1.0 3.0
   51    52    55    57  -2.17200  1.0 1.0
   51    52    55    57  -0.85700 -1.0 2.0
   51    52    55    59   0.71400  1.0 1.0
   51    52    55    59   0.04300 -1.0 2.0
   51    52    55    59   0.01450  1.0 3.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    61   0.93250  1.0 1.0
   52    55    57    61   0.04450 -1.0 2.0
   52    55    57    61   0.17550  1.0 3.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    63   0.25950  1.0 1.0
   52    55    59    63   0.43850 -1.0 2.0
   52    55    59    63   2.61650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57  -0.03800  1.0 3.0
   53    52    55    59   0.23200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57  -0.03800  1.0 3.0
   54    52    55    59   0.23200  1.0 3.0
   55    57    61    62   2.45000 -1.0 2.0
   55    57    61    65   1.15000  1.0 1.0
   55    57    61    65   3.04450 -1.0 2.0
   55    59    63    64   3.04450 -1.0 2.0
   55    59    63    68   1.15000  1.0 1.0
   55    59    63    68   3.04450 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    61   0.00000  1.0 1.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    63   0.00000  1.0 1.0
   57    55    59    60   0.00000  1.0 1.0
   57    55    59    63  -0.29800  1.0 1.0
   57    55    59    63   0.13950 -1.0 2.0
   57    55    59    63  -2.45650  1.0 3.0
   57    61    65    66   0.00000  1.0 1.0
   57    61    65    67   0.00000  1.0 1.0
   57    61    65    71  -0.29800  1.0 1.0
   57    61    65    71   0.13950 -1.0 2.0
   57    61    65    71  -2.45650  1.0 3.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    65   3.04450 -1.0 2.0
   61    65    71    72   0.00000  1.0 1.0
   61    65    71    73   0.00000  1.0 1.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    71   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    73   0.00000  1.0 1.0
   67    65    71    72   0.00000  1.0 1.0
   67    65    71    73   0.00000  1.0 1.0
   59    55    57    58   0.00000  1.0 1.0
   59    55    57    61   0.37150  1.0 1.0
   59    55    57    61   1.25400 -1.0 2.0
   59    55    57    61  -0.40250  1.0 3.0
   59    63    68    69   0.00000  1.0 1.0
   59    63    68    70   0.00000  1.0 1.0
   59    63    68    74   1.39750  1.0 1.0
   59    63    68    74  -0.07950 -1.0 2.0
   59    63    68    74  -0.18750  1.0 3.0
   60    59    63    64   2.45000 -1.0 2.0
   60    59    63    68   2.45000 -1.0 2.0
   63    68    74    75  -0.11250  1.0 3.0
   63    68    74    76  -0.11250  1.0 3.0
   63    68    74    77  -0.95700  1.0 1.0
   63    68    74    77  -0.18200 -1.0 2.0
   63    68    74    77   0.29450  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    74   0.30150 -1.0 2.0
   68    74    77    78   0.15000  1.0 3.0
   68    74    77    79  -1.63150  1.0 1.0
   68    74    77    79  -0.43550 -1.0 2.0
   68    74    77    79   0.24500  1.0 3.0
   68    74    77    82   1.36600  1.0 1.0
   68    74    77    82  -0.11450 -1.0 2.0
   68    74    77    82   0.24250  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    77   0.15000  1.0 3.0
   74    77    79    80   0.41150 -1.0 2.0
   74    77    79    81   0.41150 -1.0 2.0
   74    77    82    83   0.17350  1.0 3.0
   74    77    82    84   0.17350  1.0 3.0
   74    77    82    85   0.17350  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79  -0.11250  1.0 3.0
   75    74    77    82   0.19200  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79  -0.11250  1.0 3.0
   76    74    77    82   0.19200  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    82    83   0.13050  1.0 3.0
   78    77    82    84   0.13050  1.0 3.0
   78    77    82    85   0.13050  1.0 3.0
   79    77    82    83   0.17350  1.0 3.0
   79    77    82    84   0.17350  1.0 3.0
   79    77    82    85   0.17350  1.0 3.0
   82    77    79    80   0.30150 -1.0 2.0
   82    77    79    81   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   45    43    42    40   1.00000 -1.0 2.0
   33    42    43    44  10.50000 -1.0 2.0
   55    61    57    58  10.50000 -1.0 2.0
   62    57    61    65   1.00000 -1.0 2.0
   72    65    71    73  10.50000 -1.0 2.0
   60    63    59    55   1.00000 -1.0 2.0
   59    68    63    64  10.50000 -1.0 2.0
   80    77    79    81  10.50000 -1.0 2.0
END
