* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    237     461
    1     0 S   NP   _N1_     1    28.78914    98.06080   -23.59759
    2     1 S   H    _HN1     2     1.02785   104.73844   -88.84624
    3     1 S   H    _H1_     3     1.02952    64.22180    14.72807
    4     1 S   H    _H2_     4     1.02827    46.39032   170.30211
    5     1 S   CT   _CA1     5     1.50117   141.93558   105.34676
    6     5 S   HC   _HA1     6     1.09575   105.19546   103.77912
    7     5 S   CO3  _C1_     7     1.53792   112.46458   -16.44373
    8     7 S   O2Z  _O11     8     1.26372   115.00615   -42.29376
    9     7 S   O2Z  _O12     9     1.26243   114.95009   136.83599
   10     5 S   CT   _CB1    10     1.53082   107.41783  -138.24118
   11    10 S   HC   HB11    11     1.09832   109.36884   -49.76759
   12    10 S   HC   HB12    12     1.09814   110.44406    66.83841
   13    10 S   CT   _CG1    13     1.52986   112.60927  -170.75752
   14    13 S   HC   HG11    14     1.09584   110.60423   -65.49929
   15    13 S   HC   HG12    15     1.09670   109.80738    53.72865
   16    13 S   C    _CD1    16     1.51801   112.26262   174.16823
   17    16 S   O    _OE1    17     1.22726   123.30186     5.78408
   18    16 S   N    _N2_    18     1.38656   111.63912  -174.24807
   19    18 S   H    _HN2    19     1.01577   118.92234     1.85920
   20    18 S   CT1  _CA2    20     1.46209   123.42077   177.83066
   21    20 S   HC   _HA2    21     1.09735   109.37231     2.77925
   22    20 S   C    _C2_    22     1.53554   108.60702  -112.73413
   23    22 S   O    _O2_    23     1.23061   122.28546  -147.71529
   24    20 S   CT   _CB2    32     1.53375   111.54041   124.79648
   25    24 S   HC   HB21    33     1.09579   109.97585    56.21908
   26    24 S   HC   HB22    34     1.09423   109.99873   175.28765
   27    22 S   N    _N3_    24     1.38330   113.71337    39.71729
   28    27 S   H    _HN3    25     1.01583   119.58752    -3.28509
   29    24 S   S    _SG2    35     1.82795   111.41995   -64.76477
   30    27 S   CT   _CA3    26     1.45289   123.20254   177.12949
   31    30 S   HC   HA31    27     1.09550   107.50710   -64.62279
   32    30 S   HC   HA32    28     1.09557   107.98691    51.81265
   33    29 S   CT   _C23    36     1.83997   100.05665   169.82742
   34    33 S   HC   _H3_    37     1.09696   106.57727   -43.84956
   35    30 S   CO3  _C3_    29     1.52959   114.09082   173.81350
   36    35 S   O2Z  _O31    30     1.26375   116.06943    -0.69492
   37    35 S   O2Z  _O32    31     1.26429   114.41008   179.36634
   38    33 S   CT   _C21    38     1.52940   110.08868    73.04613
   39    38 S   HC   _H47    39     1.09537   112.15904    60.19529
   40    38 S   HC   _H48    40     1.09446   111.79068   -61.35449
   41    38 S   HC   _H49    41     1.09523   110.18665  -179.68472
   42    33 S   CT   _C22    42     1.54875   113.50489  -161.13684
   43    42 S   HC   _H50    43     1.09970   106.81866   175.90347
   44    42 S   CO4  _C12    44     1.52316   113.54733   -65.93211
   45    44 S   O    _O23    45     1.22369   124.74442    68.00509
   46    42 S   CT   _C20    83     1.53047   113.67097    59.28338
   47    46 S   HC   _H44    84     1.09478   112.35632   -68.57967
   48    46 S   HC   _H45    85     1.09607   110.27856   172.36627
   49    46 S   HC   _H46    86     1.09482   110.91760    52.95152
   50    44 S   OS   _O26    46     1.36645   109.80357  -113.08373
   51    50 S   CT   _C17    47     1.45270   117.25502  -178.72221
   52    51 S   HC   _H37    48     1.09792   109.00191   -36.13664
   53    51 S   CT   _C13    49     1.55761   106.21171    83.22810
   54    53 S   HC   _H32    50     1.09934   108.08892    56.64823
   55    53 S   HC   _H33    51     1.09778   109.71084   -55.98793
   56    51 S   CT   _C15    64     1.56034   108.16627  -154.71176
   57    56 S   HC   _H35    65     1.09758   108.15288   -69.98504
   58    53 S   CM   _C6_    52     1.51249   115.70315  -179.04060
   59    56 S   CM   _C9_    66     1.49272   115.25320    51.81238
   60    58 S   CM   _C4_    53     1.34551   119.39988  -103.67034
   61    60 S   HC   _H28    54     1.08539   121.64567    -5.14735
   62    59 S   CO4  _C10    67     1.47094   110.73558   110.16062
   63    62 S   O    _O22    68     1.21779   126.95440  -173.19905
   64    59 S   CM   _C11    70     1.33658   128.19038   -75.31853
   65    64 S   HC   _H30    71     1.08490   120.89947     2.46728
   66    64 S   HC   _H31    72     1.08524   121.87635  -177.16469
   67    58 S   CT   _C18    79     1.50578   115.70901    74.88265
   68    67 S   HC   _H38    80     1.09383   111.11459   -58.59209
   69    67 S   HC   _H39    81     1.09359   113.02714  -179.65170
   70    67 S   HC   _H40    82     1.09528   109.72624    60.82134
   71    60 S   CO4  _C8_    55     1.47606   122.47096   167.60019
   72    71 S   O    _O21    56     1.22703   120.66404    97.12636
   73    83 S   OS   _O24    69     1.44170   111.00793    86.99683
   74    71 S   CM   _C5_    57     1.49987   118.57043   -82.38810
   75    74 S   HC   _H29    58     1.09041   110.81919   165.12521
   76    74 S   CM   _C7_    59     1.35219   131.39203   -14.19795
   77    76 S   CT   _C14    60     1.52188   125.47746    -3.02142
   78    77 S   HC   _H34    61     1.09125   108.31605   -32.18025
   79    76 S   CT   _C19    75     1.51087   118.85715   176.24511
   80    79 S   HC   _H41    76     1.09457   110.64635   114.84496
   81    79 S   HC   _H42    77     1.09541   112.37792    -5.12996
   82    79 S   HC   _H43    78     1.09458   110.44236  -124.72613
   83    77 S   CT   _C16    62     1.54346   111.73033    89.31234
   84    83 S   HC   _H36    63     1.09083   109.64949   -27.50203
   85    77 S   OH   _O25    73     1.42742   111.95065  -146.31523
   86    85 S   HO   _H52    74     0.97264   107.62964    56.04097
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  16   8  14   5   4  15   7   9   9  10   4   8   3   4
   1   1   4   2   1   1   6   3   6  10   3  10   9   5   5   2
   1   1   3   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    58    83    56    57    59  
   52    53    54    55    58    60    77    83    84    56    57    59    62    73    64    67  
   53    54    55    58    83    56    57    59  
   54    55    58    60    61    71    83    56    57    59    67    68    69    70  
   55    58    60    56    67  
   58    60    56    67  
   57    59    62    63    73    64    65    66    85    58    76    77    78    83    84  
   59    62    73    64    77    83    84  
   60    61    71    72    74    67    68    69    70  
   62    63    73    64    65    66    77    83    84  
   61    71    72    74    75    76    67    68    69    70  
   71    72    74    67  
   63    73    64    65    66    77    83    84  
   73    64    83  
   65    66    73    83  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    74    75    76    77    79  
   74    75    76  
   85    76    77    78    83    84  
   75    76    77    78    83    85    79    80    81    82  
   76    77    79  
   77    78    83    84    85    86    79    80    81    82  
   78    83    84    85    86    79    80    81    82  
   83    84    85    86    79  
   80    81    82    83    85  
   81    82  
   82  
    0  
   84    85    86  
   85  
   86  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    60   549.000  1.340
   58    67   317.000  1.510
   60    61   340.000  1.080
   60    71   320.000  1.462
   71    72   570.000  1.229
   71    74   320.000  1.462
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    79   317.000  1.510
   77    78   340.000  1.090
   77    83   268.000  1.529
   77    85   320.000  1.410
   83    84   340.000  1.090
   83    56   268.000  1.529
   83    73   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    73   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   85    86   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.02700
   51    56    83    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    70.00000  124.00000
   53    58    67    65.00000  117.92700
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    71    65.00000  118.96000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   60    71    72    80.00000  123.72100
   60    71    74    65.00000  118.65900
   71    60    61    40.00000  117.72500
   71    74    75    40.00000  117.72500
   71    74    76    65.00000  118.96000
   74    71    72    80.00000  123.72100
   74    76    77    70.00000  124.00000
   74    76    79    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    83    70.00000  112.02700
   76    77    85    90.00000  110.39200
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    37.50000  110.70000
   77    83    56    58.35000  112.70000
   77    83    73    50.00000  109.50000
   77    85    86    55.00000  108.50000
   83    77    78    37.50000  110.70000
   83    56    57    37.50000  110.70000
   83    56    59    70.00000  112.02700
   83    73    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    83    84    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    73    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   73    83    84    35.00000  109.50000
   73    83    56    50.00000  109.50000
   73    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   85    77    78    35.00000  109.50000
   85    77    83    50.00000  109.50000
   79    76    77    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   67    58    60    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58   0.61850  1.0 1.0
   50    51    53    58  -0.22750 -1.0 2.0
   50    51    53    58   0.15300  1.0 3.0
   50    51    56    83   0.62750  1.0 1.0
   50    51    56    83  -0.30950 -1.0 2.0
   50    51    56    83   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.09850  1.0 1.0
   51    53    58    60   0.15250 -1.0 2.0
   51    53    58    60  -0.50650  1.0 3.0
   51    53    58    67   0.46850  1.0 1.0
   51    53    58    67   0.08550 -1.0 2.0
   51    53    58    67   0.09800  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    83   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    83   0.56750  1.0 1.0
   53    51    56    83  -0.07550 -1.0 2.0
   53    51    56    83   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   7.00000 -1.0 2.0
   53    58    60    71   7.00000 -1.0 2.0
   53    58    67    68   0.34800  1.0 3.0
   53    58    67    69   0.34800  1.0 3.0
   53    58    67    70   0.34800  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    67   0.34800  1.0 3.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    67   0.34800  1.0 3.0
   58    60    71    72   1.00000 -1.0 2.0
   58    60    71    74  -1.18350  1.0 1.0
   58    60    71    74   1.45950 -1.0 2.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    69   0.00000  1.0 1.0
   60    58    67    70   0.00000  1.0 1.0
   60    71    74    75   0.93700 -1.0 2.0
   60    71    74    76  -1.18350  1.0 1.0
   60    71    74    76   1.45950 -1.0 2.0
   61    60    71    72   0.00000  1.0 1.0
   61    60    71    74   0.93700 -1.0 2.0
   71    74    76    77   7.00000 -1.0 2.0
   71    74    76    79   7.00000 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   1.00000 -1.0 2.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    83   0.09850  1.0 1.0
   74    76    77    83   0.15250 -1.0 2.0
   74    76    77    83  -0.50650  1.0 3.0
   74    76    77    85   0.67800  1.0 1.0
   74    76    77    85   0.47050 -1.0 2.0
   74    76    77    85  -0.62500  1.0 3.0
   74    76    79    80   0.00000  1.0 1.0
   74    76    79    81   0.00000  1.0 1.0
   74    76    79    82   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    79   7.00000 -1.0 2.0
   76    77    83    84   0.15000  1.0 3.0
   76    77    83    56   0.34400  1.0 1.0
   76    77    83    56   0.09450 -1.0 2.0
   76    77    83    56   0.11100  1.0 3.0
   76    77    83    73   0.61850  1.0 1.0
   76    77    83    73  -0.22750 -1.0 2.0
   76    77    83    73   0.15300  1.0 3.0
   76    77    85    86  -0.07800  1.0 1.0
   76    77    85    86  -0.21500 -1.0 2.0
   76    77    85    86  -0.03150  1.0 3.0
   77    76    79    80   0.34800  1.0 3.0
   77    76    79    81   0.34800  1.0 3.0
   77    76    79    82   0.34800  1.0 3.0
   77    83    56    51   0.56750  1.0 1.0
   77    83    56    51  -0.07550 -1.0 2.0
   77    83    56    51   0.20000  1.0 3.0
   77    83    56    57   0.15000  1.0 3.0
   77    83    56    59   0.34400  1.0 1.0
   77    83    56    59   0.09450 -1.0 2.0
   77    83    56    59   0.11100  1.0 3.0
   77    83    73    62  -0.25900  1.0 1.0
   77    83    73    62  -0.47000 -1.0 2.0
   77    83    73    62   0.11750  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    56   0.15000  1.0 3.0
   78    77    83    73   0.23400  1.0 3.0
   78    77    85    86   0.19450  1.0 3.0
   83    77    85    86  -0.11600  1.0 1.0
   83    77    85    86  -0.09450 -1.0 2.0
   83    77    85    86   0.21250  1.0 3.0
   83    56   -59    62   0.09700  1.0 1.0
   83    56   -59    62   0.15600 -1.0 2.0
   83    56   -59    62  -0.50800  1.0 3.0
   83    56    59    64   0.09850  1.0 1.0
   83    56    59    64   0.15250 -1.0 2.0
   83    56    59    64  -0.50650  1.0 3.0
   84    83    56    51   0.15000  1.0 3.0
   84    83    56    57   0.15000  1.0 3.0
   84    83    56    59   0.15000  1.0 3.0
   84    83    73    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.34400  1.0 1.0
   56    51    53    58   0.09450 -1.0 2.0
   56    51    53    58   0.11100  1.0 3.0
   56    83   -73    62  -0.25900  1.0 1.0
   56    83   -73    62  -0.47000 -1.0 2.0
   56    83   -73    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    73  -0.15000  1.0 1.0
   56    59   -62    73   0.89550 -1.0 2.0
   56    59   -62    73  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -73    83   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    73    83   3.00000 -1.0 2.0
   73    83    56    51   0.62750  1.0 1.0
   73    83    56    51  -0.30950 -1.0 2.0
   73    83    56    51   0.27300  1.0 3.0
   73    83    56    57   0.23400  1.0 3.0
   73    83   -56    59   0.61850  1.0 1.0
   73    83   -56    59  -0.22750 -1.0 2.0
   73    83   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    73  -0.56150  1.0 1.0
   64    59    62    73   2.19150 -1.0 2.0
   85    77    83    84   0.23400  1.0 3.0
   85    77    83    56   0.86500  1.0 1.0
   85    77    83    56  -0.17500 -1.0 2.0
   85    77    83    56   0.20800  1.0 3.0
   85    77    83    73   3.69350  1.0 1.0
   85    77    83    73  -1.82950 -1.0 2.0
   79    76    77    78   0.34800  1.0 3.0
   79    76    77    83   0.46850  1.0 1.0
   79    76    77    83   0.08550 -1.0 2.0
   79    76    77    83   0.09800  1.0 3.0
   79    76    77    85   0.18000  1.0 1.0
   79    76    77    85   0.16450 -1.0 2.0
   79    76    77    85   0.04450  1.0 3.0
   67    58    60    61   7.00000 -1.0 2.0
   67    58    60    71   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   42    50    44    45  10.50000 -1.0 2.0
   53    67    58    60   1.10000 -1.0 2.0
   71    61    60    58   1.10000 -1.0 2.0
   60    74    71    72  10.50000 -1.0 2.0
   71    75    74    76   1.10000 -1.0 2.0
   77    79    76    74   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    73    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
