* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    163    248     475
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034    82.71681    51.32273
    3     1 S   H    _H1_     3     1.02103    34.75441  -169.96561
    4     1 S   H    _H2_     4     1.02114    96.75283   -56.72444
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   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    57.98762
   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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.82214    98.17254   179.98022
   34    33 S   HC   _H6_    37     1.09387   107.76594    41.67211
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C7_    38     1.52910   109.54616   159.98503
   39    38 S   HC   _H4_    39     1.09699   107.05637    58.79056
   40    33 S   CT   _C23    84     1.52174   109.93105   -77.49184
   41    40 S   HC   _H24    85     1.09593   110.41373   -61.79244
   42    40 S   HC   _H25    86     1.09596   111.12218   179.28290
   43    40 S   HC   _H26    87     1.09600   112.04647    57.92904
   44    38 S   CO4  _C8_    40     1.52387   109.74236   -57.59395
   45    44 S   O    _O33    41     1.22480   124.43634   -15.04172
   46    38 S   CT   _C6_    66     1.54212   110.68068  -178.96335
   47    46 S   HC   _H10    67     1.09786   110.43618   -17.36443
   48    46 S   HC   _H11    68     1.09640   108.82594    98.34827
   49    44 S   OS   _O34    42     1.36731   110.05056   165.48484
   50    49 S   CT   _C9_    43     1.43128   115.84882   178.23409
   51    50 S   HC   _H5_    44     1.09655   110.90740   -46.30520
   52    50 S   CR3  _C12    45     1.50011   107.37901  -165.95771
   53    50 S   CT   _C10    54     1.55830   111.17593    79.30506
   54    53 S   HC   _H12    55     1.09333   112.90281    -5.88473
   55    53 S   HC   _H13    56     1.09310   110.64056  -130.78772
   56    52 S   C5BC _C13    46     1.45440   133.29269    64.39178
   57    56 S   C5BC _C14    47     1.34701   101.27249   177.69675
   58    57 S   HA   _H14    48     1.07955   125.65901  -179.40983
   59    56 S   CT   _C16    57     1.47489   126.77662    -1.17753
   60    59 S   HC   _H16    58     1.09525   110.22703    45.61552
   61    59 S   HC   _H17    59     1.09495   111.04069   166.55388
   62    57 S   C5A  _C15    49     1.44325   111.03749     1.16969
   63    62 S   HA   _H15    50     1.07589   129.22392  -179.60042
   64    59 S   OS   _O36    60     1.43532   107.32808   -74.99736
   65    52 S   NA   _N4_    51     1.27345   112.84108  -116.75862
   66    64 S   CO4  _C17    61     1.36419   117.23671   163.80440
   67    66 S   O    _O37    62     1.22338   125.67830     2.38261
   68    65 S   C    _C11    52     1.50781   110.99788     0.15577
   69    68 S   O    _O35    53     1.21189   120.48616   178.95078
   70    66 S   CT   _C18    63     1.53142   109.79407  -177.77930
   71    70 S   CT   _C5_    64     1.55720   110.76050    55.56152
   72    71 S   HC   _H3_    65     1.09723   108.42116   -55.82861
   73    70 S   CT   _C19    73     1.53229   108.08979   -69.17330
   74    73 S   HC   _H18    74     1.08749   109.53428  -179.93744
   75    73 S   HC   _H19    75     1.08649   109.55995    60.05472
   76    73 S   HC   _H20    76     1.08687   109.59418   -59.97810
   77    70 S   OS   _O38    77     1.42501   107.29366   174.47416
   78    71 S   CT   _C4_    69     1.53877   112.21991  -173.51291
   79    78 S   HC   _H7_    70     1.08535   109.23871   -61.38841
   80    78 S   HC   _H8_    71     1.08486   109.27964   178.61761
   81    78 S   HC   _H9_    72     1.08491   109.21359    58.56856
   82    77 S   CO4  _C20    78     1.36612   115.70214    59.93237
   83    82 S   O    _O39    79     1.22336   126.16732     0.06256
   84    82 S   CT   _C21    80     1.49828   109.76895   179.96044
   85    84 S   HC   _H21    81     1.09280   109.87571   -89.95852
   86    84 S   HC   _H22    82     1.09343   109.86120   148.15209
   87    84 S   HC   _H23    83     1.09386   109.39260    29.14204
  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  16   8   5   2   1   1  10   3  13   5   4
   9  12   7  15   7   4   3  11   9   4   8   3   2   4   2   6
   2  11   4   1   1  14  11   6   6   3   2   1   7   3   2   1
   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    71    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    70    71    72    46    47    48    78    40    41    42    43  
   44    45    49    71    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    53    71    46    47    48  
   49    50    46  
   47    48    78    79    80    81    73    77    49    66    70    71    72  
   48    78    70    71    72  
   78    70    71    72  
   50    51    52    56    65    68    53    54    55  
   51    52    56    57    62    65    68    69    53    54    55    59  
   52    56    65    68    53    54    55  
   56    57    58    62    63    65    68    69    53    54    55    59    60    61    64  
   54    55    56    62    65    68    69  
   55    65    68    69  
   65    68    69  
   57    58    62    63    65    68    59    60    61    64    66  
   58    62    63    65    68    59    60    61    64  
   62    63    65    59  
   60    61    64    66    67    70    62    65  
   61    64    66  
   64    66  
   63    65    68    69  
   65    68  
   66    67    70    71    73    77  
   68    69  
   67    70    71    72    78    73    74    75    76    77    82  
   70    71    73    77  
   69  
    0  
   71    72    78    79    80    81    73    74    75    76    77    82    83    84  
   72    78    79    80    81    73    74    75    76    77    82  
   78    79    80    81    73    77  
   74    75    76    77    82    78  
   75    76    77  
   76    77  
   77  
   82    83    84    85    86    87    78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   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  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.123000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.305000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.2500   0.1700  -0.044500   1.8650   1.6500   0.001000000  -0.511443539
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    56   440.000  1.409
   52    65   483.000  1.339
   56    57   469.000  1.424
   56    59   285.000  1.502
   57    58   367.000  1.080
   57    62   546.000  1.367
   62    63   367.000  1.080
   62    65   427.000  1.381
   65    68   320.000  1.420
   68    69   570.000  1.229
   68    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    77   320.000  1.410
   71    72   340.000  1.090
   71    46   268.000  1.529
   71    78   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    82   214.000  1.327
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    71    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  111.85700
   49    50    53    50.00000  109.50000
   50    52    56    70.00000  120.00000
   50    52    65    75.00000  115.74700
   50    53    68    63.00000  111.10000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    56    57    75.00000  116.72000
   52    56    59    80.00000  105.07000
   52    65    62    70.00000  114.00000
   52    65    68    70.00000  114.00000
   56    57    58    35.00000  127.50000
   56    57    62    70.00000  107.30000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    64    85.00000  111.85700
   57    62    63    35.00000  132.10000
   57    62    65    70.00000  107.70000
   62    57    58    35.00000  125.70000
   62    65    68    65.00000  122.39000
   65    52    56    75.00000  118.00000
   65    62    63    35.00000  121.60000
   65    68    69    95.00000  116.26000
   65    68    53    70.00000  116.00000
   68    53    54    35.00000  109.50000
   68    53    55    35.00000  109.50000
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.17500
   53    68    69    80.00000  120.40000
   55    53    54    33.00000  107.80000
   59    56    57    60.00000  130.00000
   59    64    66    83.00000  116.90000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    70    81.00000  111.40000
   66    70    71    63.00000  111.10000
   66    70    73    63.00000  111.10000
   66    70    77    90.00000  108.74100
   70    66    67    80.00000  120.40000
   70    71    72    37.50000  110.70000
   70    71    46    58.35000  112.70000
   70    71    78    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   70    77    82    83.00000  116.90000
   71    46    47    37.50000  110.70000
   71    46    48    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    71    72    37.50000  110.70000
   48    46    47    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    46    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   73    70    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    71    50.00000  109.50000
   77    70    73    50.00000  109.50000
   77    82    83    83.00000  123.40000
   77    82    84    81.00000  111.40000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   84    82    83    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    71   0.56750  1.0 1.0
   33    38    46    71  -0.07550 -1.0 2.0
   33    38    46    71   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    71   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    71  -0.95700  1.0 1.0
   44    38    46    71  -0.18200 -1.0 2.0
   44    38    46    71   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.43900 -1.0 2.0
   44    49    50    52   0.14100  1.0 3.0
   44    49    50    53  -0.25900  1.0 1.0
   44    49    50    53  -0.47000 -1.0 2.0
   44    49    50    53   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    56   0.64500  1.0 1.0
   49    50    52    56   0.14800 -1.0 2.0
   49    50    52    56   0.20650  1.0 3.0
   49    50    52    65   0.04300 -1.0 2.0
   49    50    53    68  -0.09450  1.0 1.0
   49    50    53    68  -1.12950 -1.0 2.0
   49    50    53    68   0.54000  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    59   3.62500 -1.0 2.0
   50    52    65    62   3.62500 -1.0 2.0
   50    52   -65    68   3.62500 -1.0 2.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    52    65   0.00000  1.0 1.0
   51    50    53    68  -0.11250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   52    50   -53    68   0.56750  1.0 1.0
   52    50   -53    68  -0.07550 -1.0 2.0
   52    50   -53    68   0.20000  1.0 3.0
   52    50    53    54   0.43200  1.0 3.0
   52    50    53    55   0.43200  1.0 3.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56   -57    62   3.62500 -1.0 2.0
   52    56    59    60   0.00000  1.0 1.0
   52    56    59    61   0.00000  1.0 1.0
   52    56    59    64   0.64500  1.0 1.0
   52    56    59    64   0.14800 -1.0 2.0
   52    56    59    64   0.20650  1.0 3.0
   52    65    68    69   2.25000 -1.0 2.0
   52    65   -68    53   2.25000 -1.0 2.0
   56    52   -65    62   3.62500 -1.0 2.0
   56    52    65    68   3.62500 -1.0 2.0
   56    57    62    63   3.62500 -1.0 2.0
   56    57   -62    65   3.62500 -1.0 2.0
   56    59    64    66  -0.43900 -1.0 2.0
   56    59    64    66   0.14100  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    64   0.64500  1.0 1.0
   57    56    59    64   0.14800 -1.0 2.0
   57    56    59    64   0.20650  1.0 3.0
   57    62   -65    52   3.62500 -1.0 2.0
   57    62    65    68   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    65   3.62500 -1.0 2.0
   62    65    68    69   2.25000 -1.0 2.0
   62    65    68    53   2.25000 -1.0 2.0
   63    62    65    52   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    52   -56    57   3.62500 -1.0 2.0
   65    52    56    59   3.62500 -1.0 2.0
   65    68   -53    50   0.00000  1.0 1.0
   65    68    53    54   0.00000  1.0 1.0
   65    68    53    55   0.00000  1.0 1.0
   69    68    53    50   0.30150 -1.0 2.0
   69    68    53    54   0.00000  1.0 1.0
   69    68    53    55   0.00000  1.0 1.0
   53    50    52    56   0.04150 -1.0 2.0
   53    50   -52    65   0.39850  1.0 1.0
   53    50   -52    65   0.06450 -1.0 2.0
   53    50   -52    65   0.32400  1.0 3.0
   59    56    57    58   3.62500 -1.0 2.0
   59    56    57    62   3.62500 -1.0 2.0
   59    64    66    67   3.00000 -1.0 2.0
   59    64    66    70   1.63150  1.0 1.0
   59    64    66    70   2.92000 -1.0 2.0
   60    59    64    66   0.08050  1.0 3.0
   61    59    64    66   0.08050  1.0 3.0
   64    66    70    71   0.36750  1.0 3.0
   64    66    70    73   0.36750  1.0 3.0
   64    66    70    77   0.40000  1.0 3.0
   66    70    71    72  -0.11250  1.0 3.0
   66    70    71    46  -0.95700  1.0 1.0
   66    70    71    46  -0.18200 -1.0 2.0
   66    70    71    46   0.29450  1.0 3.0
   66    70    71    78  -0.95700  1.0 1.0
   66    70    71    78  -0.18200 -1.0 2.0
   66    70    71    78   0.29450  1.0 3.0
   66    70    73    74  -0.11250  1.0 3.0
   66    70    73    75  -0.11250  1.0 3.0
   66    70    73    76  -0.11250  1.0 3.0
   66    70    77    82  -1.80650  1.0 1.0
   66    70    77    82   0.63900 -1.0 2.0
   66    70    77    82   0.03650  1.0 3.0
   67    66    70    71   0.30150 -1.0 2.0
   67    66    70    73   0.30150 -1.0 2.0
   67    66    70    77   0.30150 -1.0 2.0
   70    71    46    38   0.56750  1.0 1.0
   70    71    46    38  -0.07550 -1.0 2.0
   70    71    46    38   0.20000  1.0 3.0
   70    71    46    47   0.15000  1.0 3.0
   70    71    46    48   0.15000  1.0 3.0
   70    71    78    79   0.15000  1.0 3.0
   70    71    78    80   0.15000  1.0 3.0
   70    71    78    81   0.15000  1.0 3.0
   70    77    82    83   3.00000 -1.0 2.0
   70    77    82    84   1.63150  1.0 1.0
   70    77    82    84   2.92000 -1.0 2.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   71    70    77    82  -0.25900  1.0 1.0
   71    70    77    82  -0.47000 -1.0 2.0
   71    70    77    82   0.11750  1.0 3.0
   72    71    46    38   0.15000  1.0 3.0
   72    71    46    47   0.15000  1.0 3.0
   72    71    46    48   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    71    78    79   0.15000  1.0 3.0
   46    71    78    80   0.15000  1.0 3.0
   46    71    78    81   0.15000  1.0 3.0
   78    71    46    38   0.56750  1.0 1.0
   78    71    46    38  -0.07550 -1.0 2.0
   78    71    46    38   0.20000  1.0 3.0
   78    71    46    47   0.15000  1.0 3.0
   78    71    46    48   0.15000  1.0 3.0
   73    70    71    72   0.15000  1.0 3.0
   73    70    71    46   0.56750  1.0 1.0
   73    70    71    46  -0.07550 -1.0 2.0
   73    70    71    46   0.20000  1.0 3.0
   73    70    71    78   0.56750  1.0 1.0
   73    70    71    78  -0.07550 -1.0 2.0
   73    70    71    78   0.20000  1.0 3.0
   73    70    77    82  -0.25900  1.0 1.0
   73    70    77    82  -0.47000 -1.0 2.0
   73    70    77    82   0.11750  1.0 3.0
   77    70    71    72   0.23400  1.0 3.0
   77    70    71    46   0.62750  1.0 1.0
   77    70    71    46  -0.30950 -1.0 2.0
   77    70    71    46   0.27300  1.0 3.0
   77    70    71    78   0.62750  1.0 1.0
   77    70    71    78  -0.30950 -1.0 2.0
   77    70    71    78   0.27300  1.0 3.0
   77    70    73    74   0.23400  1.0 3.0
   77    70    73    75   0.23400  1.0 3.0
   77    70    73    76   0.23400  1.0 3.0
   77    82    84    85   0.00000  1.0 1.0
   77    82    84    86   0.00000  1.0 1.0
   77    82    84    87   0.00000  1.0 1.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  1.0 3.0
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
   38    49    44    45  10.50000 -1.0 2.0
   56    65    52    50   4.00000 -1.0 2.0
   57    59    56    52   4.00000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   65    63    62    57   1.10000 -1.0 2.0
   62    68    65    52   4.00000 -1.0 2.0
   65    53    68    69  10.50000 -1.0 2.0
   64    70    66    67  10.50000 -1.0 2.0
   77    84    82    83  10.50000 -1.0 2.0
END
