* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    156    237     434
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02041    99.53131   -50.36652
    3     1 S   H    _H1_     3     1.02048    78.69295    56.91936
    4     1 S   H    _H2_     4     1.02074    36.90668  -158.88612
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69466
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14614
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C7_    36     1.86594    96.79580   161.85717
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C12    37     1.54791   107.03943   160.02012
   38    33 S   CT   _C6_    74     1.54321   106.94097    39.45006
   39    38 S   HC   _H7_    75     1.08562   108.98138    37.14669
   40    38 S   HC   _H8_    76     1.08504   108.97635   -82.17609
   41    37 S   N4   _N8_    38     1.36586   118.20502   104.04687
   42    37 S   CMA  _C13    71     1.34730   122.28720   -72.01211
   43    42 S   OM   _O34    72     1.38533   118.58737  -179.76510
   44    42 S   OM   _O35    73     1.38577   118.55107     0.18663
   45    38 S   S    _S1_    77     1.80443   109.75325   157.50623
   46    41 S   C4   _C11    39     1.35396   137.69859  -162.31002
   47    46 S   O    _O33    40     1.20867   134.37820    -3.56106
   48    41 S   C4T  _C9_    42     1.45151   125.69761    22.94669
   49    48 S   HC   _H3_    43     1.09776   112.28205    73.29311
   50    45 S   CRA  _C5_    78     1.76912   100.18688  -179.97202
   51    46 S   C4T  _C10    41     1.55334    89.64799   172.65869
   52    48 S   S    _S2_    44     1.80354   110.20006   -54.97018
   53    50 S   N5B  _N5_    79     1.42462   124.88170    -0.02798
   54    33 S   CT   _C8_    45     1.55645   106.36246   -74.59248
   55    54 S   HC   _H9_    46     1.09748   111.79242    45.29266
   56    54 S   HC   _H10    47     1.09733   109.72899   162.40263
   57    51 S   N    _N9_    48     1.46871   112.29968  -101.33358
   58    57 S   H    _H11    49     1.00488   118.85727   119.96578
   59    51 S   OS   _O40    66     1.44164   111.91398   129.53787
   60    53 S   N5B  _N6_    80     1.50063   102.24062  -179.86730
   61    57 S   C    _C14    50     1.36954   122.29309   -60.00356
   62    61 S   O    _O36    51     1.22550   127.27524    -0.05595
   63    59 S   CT   _C20    67     1.41382   110.77279  -159.97603
   64    63 S   HC   _H15    68     1.09267   109.53597  -179.94065
   65    63 S   HC   _H16    69     1.09319   109.56103    59.17532
   66    63 S   HC   _H17    70     1.09295   109.02907   -60.39665
   67    60 S   N5A  _N7_    81     1.30176   109.43018    -0.23903
   68    61 S   C4T  _C15    52     1.49365   113.18225   179.91153
   69    68 S   HC   _H12    53     1.09603   111.90179     0.05234
   70    50 S   NA   _N4_    82     1.35186   126.82927   180.00000
   71    68 S   S    _S3_    54     1.82450   110.93619  -129.34826
   72    68 S   S    _S4_    56     1.82454   110.96034   129.51140
   73    70 S   CT   _C4_    83     1.43823   131.34095    -0.05595
   74    73 S   HC   _H4_    84     1.09298   108.88112    89.99237
   75    73 S   HC   _H5_    85     1.09341   110.40589  -149.79855
   76    73 S   HC   _H6_    86     1.09350   109.67378   -30.09451
   77    71 S   C4M  _C16    55     1.72997    74.97661  -144.41685
   78    77 S   CM   _C17    57     1.33512   130.41172  -150.16517
   79    78 S   C    _C18    58     1.49609   118.74638  -180.00000
   80    79 S   O    _O37    59     1.22760   122.34335   -29.31255
   81    78 S   CO3  _C19    63     1.53662   117.53508     1.88544
   82    81 S   O2Z  _O39    64     1.26424   115.60578    90.01887
   83    81 S   O2Z  _O38    65     1.26588   115.17228   -89.99262
   84    79 S   N    _N10    60     1.37449   114.48787   149.98889
   85    84 S   H    _H13    61     1.01540   119.68016    -0.01978
   86    84 S   H    _H14    62     1.01425   120.57152  -179.98022
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   7  10   4  11
   5   8  12   5   4   2   1   1   9   4   5   3   6   4   3   2
   1   1   5   5   3   4   5   4   3   2   1   1   7   8   7   4
   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    54    55    56    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    52    54    55    56    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    51    48    49    52    54    55    56    42    43    44    38    39    40    45  
   39    40    45    50    53    70    41    42    52    54    55    56  
   40    45    50    54  
   45    50    54  
   46    47    51    48    49    52    54    57    59    42    43    44  
   43    44    46    48    54  
   44  
    0  
   50    53    60    67    70    73    54  
   47    51    48    49    52    57    58    61    59    63  
   51    48    57    59  
   49    52    54    55    56    57    58    61    59    63    51  
   52    54    57    59    51  
   53    60    67    70    73    74    75    76  
   52    54    57    58    61    62    68    59    63    64    65    66  
   54    55    56    57    59  
   60    67    70    73  
   55    56  
   56  
    0  
   58    61    62    68    69    71    72    59    63  
   61    62    68    59  
   63    64    65    66    61  
   67    70    73  
   62    68    69    71    77    72  
   68    69    71    72  
   64    65    66  
   65    66  
   66  
    0  
   70    73    74    75    76  
   69    71    77    72    78  
   71    77    72  
   73    74    75    76  
   77    72    78    79    81  
   78    79    81    77  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    84    81    82    83  
   79    80    84    85    86    81    82    83  
   80    84    85    86    81    82    83  
   84    85    86    81  
   82    83    84  
   83  
    0  
   85    86  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   52   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   54   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   68   3.5000   0.0660   0.253000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   71   3.6000   0.3550  -0.164000   2.0300   1.8000   0.025682759  -1.666211680
   72   3.6000   0.3550  -0.164000   2.0300   1.8000   0.025682759  -1.666211680
   73   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.015000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.367000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   81   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   85   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   86   0.5000   0.0300   0.380000   1.5900   1.4000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    54   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    51   250.000  1.540
   51    48   268.000  1.529
   51    57   337.000  1.449
   51    59   320.000  1.410
   48    49   340.000  1.090
   48    52   200.000  1.824
   52    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    61   490.000  1.335
   61    62   570.000  1.229
   61    68   317.000  1.522
   68    69   340.000  1.090
   68    71   200.000  1.824
   68    72   200.000  1.824
   71    77   240.000  1.763
   77    72   240.000  1.763
   77    78   545.000  1.340
   78    79   410.000  1.444
   78    81   230.000  1.545
   79    80   570.000  1.229
   79    84   490.000  1.335
   84    85   434.000  1.010
   84    86   434.000  1.010
   81    82   656.000  1.250
   81    83   656.000  1.250
   59    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   222.000  1.810
   45    50   245.000  1.755
   50    53   488.000  1.335
   50    70   477.000  1.343
   53    60   290.000  1.379
   60    67   420.000  1.291
   67    70   400.000  1.349
   70    73   320.000  1.443
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    54    52    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    51    95.00000   92.72400
   41    48    51   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    52    80.00000  108.62000
   46    51    48   100.00000   86.36000
   46    51    57    75.00000  110.24000
   46    51    59    90.00000  108.55600
   51    46    47    60.00000  136.58000
   51    48    49    37.50000  110.70000
   51    48    52    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    61    50.00000  121.90000
   51    59    63    60.00000  109.50000
   48    41    46   100.00000   93.00000
   48    52    54    85.00000   99.86700
   52    48    49    45.00000  109.41400
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    48    80.00000  110.05700
   57    61    62    80.00000  122.90000
   57    61    68    70.00000  116.60000
   61    57    58    35.00000  119.80000
   61    68    69    35.00000  109.50000
   61    68    71    70.00000  112.33000
   61    68    72    70.00000  112.33000
   68    61    62    80.00000  120.40000
   68    71    77    60.00000   90.00000
   68    72    77    60.00000   90.00000
   71    68    69    45.00000  109.41400
   71    77    72    95.00000   96.00000
   71    77    78    65.00000  122.11800
   77    78    79    70.00000  118.70000
   77    78    81    55.00000  124.75400
   72    68    69    45.00000  109.41400
   72    68    71    65.00000   91.00000
   78    77    72    65.00000  122.11800
   78    79    80    80.00000  125.30000
   78    79    84    80.00000  111.56200
   78    81    82    85.00000  113.83300
   78    81    83    85.00000  113.83300
   79    84    85    35.00000  119.80000
   79    84    86    35.00000  119.80000
   84    79    80    80.00000  122.90000
   86    84    85    35.00000  120.00000
   81    78    79    80.00000  109.98000
   83    81    82    80.00000  126.00000
   59    51    48    50.00000  109.50000
   59    51    57    95.00000  111.00000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    54    58.35000  112.70000
   38    45    50    85.00000   97.05500
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    53    70.00000  126.12900
   45    50    70    70.00000  123.45500
   50    53    60   100.00000  108.10500
   50    70    67    95.00000  110.06400
   50    70    73    60.00000  127.66100
   53    60    67   100.00000  111.97400
   60    67    70   110.00000  106.81600
   67    70    73    75.00000  118.68000
   70    50    53    70.00000  120.00000
   70    73    74    50.00000  108.61900
   70    73    75    50.00000  108.61900
   70    73    76    50.00000  108.61900
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    54    52   0.56750  1.0 1.0
   29    33    54    52  -0.07550 -1.0 2.0
   29    33    54    52   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  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    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.35400  1.0 1.0
   33    38    45    50  -0.24450 -1.0 2.0
   33    38    45    50   0.44000  1.0 3.0
   37    33    54    52   0.56750  1.0 1.0
   37    33    54    52  -0.07550 -1.0 2.0
   37    33    54    52   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    51   3.00000 -1.0 2.0
   37    41   -48    51   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    52   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46   -51    48   3.00000 -1.0 2.0
   41    46    51    57   0.00000  1.0 1.0
   41    46    51    59   0.00000  1.0 1.0
   41    48    52    54   0.01700  1.0 1.0
   41    48    52    54  -0.23550 -1.0 2.0
   41    48    52    54   0.21350  1.0 3.0
   46    41   -48    51   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    52   0.00000  1.0 1.0
   46    51   -48    41   3.00000 -1.0 2.0
   46    51   -48    49   0.15000  1.0 3.0
   46    51   -48    52   0.00000  1.0 1.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    61  -0.42300  1.0 1.0
   46    51    57    61  -0.07000 -1.0 2.0
   46    51    57    61   0.04150  1.0 3.0
   46    51    59    63  -1.11000  1.0 1.0
   46    51    59    63   0.50250 -1.0 2.0
   46    51    59    63   0.47450  1.0 3.0
   47    46    51    48  -0.11250  1.0 1.0
   47    46    51    48   0.11400 -1.0 2.0
   47    46    51    48  -0.28950  1.0 3.0
   47    46    51    57   0.30150 -1.0 2.0
   47    46    51    59   0.30150 -1.0 2.0
   51    48    52    54   0.25150  1.0 1.0
   51    48    52    54  -1.17200 -1.0 2.0
   51    48    52    54   0.53050  1.0 3.0
   51    57    61    62   3.04450 -1.0 2.0
   51    57    61    68   1.49850  1.0 1.0
   51    57    61    68   1.53950 -1.0 2.0
   51    59    63    64   0.37050  1.0 3.0
   51    59    63    65   0.37050  1.0 3.0
   51    59    63    66   0.37050  1.0 3.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    51   3.00000 -1.0 2.0
   48    51    57    58   0.00000  1.0 1.0
   48    51    57    61  -0.43950  1.0 1.0
   48    51    57    61  -0.08100 -1.0 2.0
   48    51    57    61   0.03350  1.0 3.0
   48    51    59    63   0.06250  1.0 1.0
   48    51    59    63  -0.01100 -1.0 2.0
   48    51    59    63   0.28050  1.0 3.0
   48    52   -54    33  -0.25000 -1.0 2.0
   48    52   -54    33  -0.01800  1.0 3.0
   48    52    54    55   0.32350  1.0 3.0
   48    52    54    56   0.32350  1.0 3.0
   49    48    52    54   0.00000  1.0 1.0
   54    33   -37    41  -0.93550  1.0 1.0
   54    33   -37    41   0.38900 -1.0 2.0
   54    33   -37    41   0.16950  1.0 3.0
   54    33    37    42   0.09850  1.0 1.0
   54    33    37    42   0.15250 -1.0 2.0
   54    33    37    42  -0.50650  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33    38    45   0.44750  1.0 1.0
   54    33    38    45  -0.17800 -1.0 2.0
   54    33    38    45   0.20200  1.0 3.0
   57    51   -48    41   2.20050  1.0 1.0
   57    51   -48    41   0.63450 -1.0 2.0
   57    51   -48    41  -0.91300  1.0 3.0
   57    51    48    49   0.15000  1.0 3.0
   57    51    48    52   0.00000  1.0 1.0
   57    51    59    63  -2.37750  1.0 1.0
   57    51    59    63  -0.08150 -1.0 2.0
   57    51    59    63   0.59000  1.0 3.0
   57    61    68    69   0.00000  1.0 1.0
   57    61    68    71   0.00000  1.0 1.0
   57    61    68    72   0.00000  1.0 1.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    68   2.45000 -1.0 2.0
   61    68    71    77   0.00000  1.0 1.0
   61    68   -72    77   0.00000  1.0 1.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    71   0.30150 -1.0 2.0
   62    61    68    72   0.30150 -1.0 2.0
   68    71   -77    72   0.00000  1.0 1.0
   68    71    77    78   1.00000 -1.0 2.0
   69    68    71    77   0.24000  1.0 3.0
   69    68   -72    77   0.24000  1.0 3.0
   71    68   -72    77   0.00000  1.0 1.0
   71    77   -72    68   0.00000  1.0 1.0
   71    77    78    79   7.00000 -1.0 2.0
   71    77    78    81   7.00000 -1.0 2.0
   77    78    79    80   1.00000 -1.0 2.0
   77    78    79    84   0.49500  1.0 1.0
   77    78    79    84   1.31600 -1.0 2.0
   77    78    79    84  -0.02300  1.0 3.0
   77    78    81    82  -0.04000 -1.0 2.0
   77    78    81    82  -0.29050  1.0 3.0
   77    78    81    83  -0.04000 -1.0 2.0
   77    78    81    83  -0.29050  1.0 3.0
   72    68   -71    77   0.00000  1.0 1.0
   72    77    78    79   7.00000 -1.0 2.0
   72    77    78    81   7.00000 -1.0 2.0
   78    77   -72    68   1.00000 -1.0 2.0
   78    79    84    85   2.56700 -1.0 2.0
   78    79    84    86   2.56700 -1.0 2.0
   79    78    81    82   2.50000 -1.0 2.0
   79    78    81    83   2.50000 -1.0 2.0
   80    79    84    85   2.45000 -1.0 2.0
   80    79    84    86   2.45000 -1.0 2.0
   81    78    79    80   2.50000 -1.0 2.0
   81    78    79    84   1.50000 -1.0 2.0
   59    51   -48    41   1.12100  1.0 1.0
   59    51   -48    41  -0.16500 -1.0 2.0
   59    51    48    49   0.15000  1.0 3.0
   59    51    48    52   0.00000  1.0 1.0
   59    51    57    58   0.00000  1.0 1.0
   59    51    57    61  -2.75650  1.0 1.0
   59    51    57    61  -1.18150 -1.0 2.0
   59    51    57    61   0.81900  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    54    52   0.44750  1.0 1.0
   38    33    54    52  -0.17800 -1.0 2.0
   38    33    54    52   0.20200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   38    45    50    53   0.63150 -1.0 2.0
   38    45    50    70   0.63150 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    53    60   3.62500 -1.0 2.0
   45    50    70    67   3.62500 -1.0 2.0
   45    50    70    73   3.62500 -1.0 2.0
   50    53   -60    67   3.62500 -1.0 2.0
   50    70    73    74   0.00000  1.0 1.0
   50    70    73    75   0.00000  1.0 1.0
   50    70    73    76   0.00000  1.0 1.0
   53    50   -70    67   3.62500 -1.0 2.0
   53    50    70    73   3.62500 -1.0 2.0
   53    60   -67    70   3.62500 -1.0 2.0
   60    67   -70    50   3.62500 -1.0 2.0
   60    67    70    73   3.62500 -1.0 2.0
   67    70    73    74   0.00000  1.0 1.0
   67    70    73    75   0.00000  1.0 1.0
   67    70    73    76   0.00000  1.0 1.0
   70    50   -53    60   3.62500 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   58    61    57    51   1.00000 -1.0 2.0
   57    68    61    62  10.50000 -1.0 2.0
   71    72    77    78   1.10000 -1.0 2.0
   79    81    78    77   1.10000 -1.0 2.0
   78    84    79    80  10.50000 -1.0 2.0
   86    79    84    85   1.00000 -1.0 2.0
   82    78    81    83  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   53    70    50    45   4.00000 -1.0 2.0
   67    73    70    50   4.00000 -1.0 2.0
END
