* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    157    235     451
    1     0 S   NP   _N1_     1    28.63424    95.89033   -21.43610
    2     1 S   H    _HN1     2     1.02781    93.40682   -98.98696
    3     1 S   H    _H1_     3     1.02951    83.68526     9.09421
    4     1 S   H    _H2_     4     1.02835    33.79085   143.37537
    5     1 S   CT   _CA1     5     1.50110   143.51933   125.22509
    6     5 S   HC   _HA1     6     1.09584   105.22320    69.94469
    7     5 S   CO3  _C1_     7     1.53874   112.23559   -50.15795
    8     7 S   O2Z  _O11     8     1.26360   115.00632   -46.96834
    9     7 S   O2Z  _O12     9     1.26224   114.97187   132.01818
   10     5 S   CT   _CB1    10     1.53146   107.38623  -172.23830
   11    10 S   HC   HB11    11     1.09813   109.50514   -50.40170
   12    10 S   HC   HB12    12     1.09805   110.49786    66.33346
   13    10 S   CT   _CG1    13     1.52851   112.30444  -171.40751
   14    13 S   HC   HG11    14     1.09524   110.17361   -62.21621
   15    13 S   HC   HG12    15     1.09621   109.84679    57.02967
   16    13 S   C    _CD1    16     1.51655   112.78308   177.26734
   17    16 S   O    _OE1    17     1.22715   123.28005    -5.39732
   18    16 S   N    _N2_    18     1.38701   111.48774   175.03825
   19    18 S   H    _HN2    19     1.01609   119.09141     1.38225
   20    18 S   CT1  _CA2    20     1.46279   123.38246  -179.29835
   21    20 S   HC   _HA2    21     1.09716   109.26104    -1.87513
   22    20 S   C    _C2_    22     1.53480   109.12612  -117.78768
   23    22 S   O    _O2_    23     1.23076   122.12335  -154.04189
   24    20 S   CT   _CB2    32     1.53529   111.36015   119.91937
   25    24 S   HC   HB21    33     1.09383   109.18453    61.22614
   26    24 S   HC   HB22    34     1.09485   110.35868   179.49876
   27    22 S   N    _N3_    24     1.38280   113.86045    33.10774
   28    27 S   H    _HN3    25     1.01612   119.39751    -3.19604
   29    24 S   S    _SG2    35     1.82882   110.98006   -60.71436
   30    27 S   CT   _CA3    26     1.45266   123.28339   177.55143
   31    30 S   HC   HA31    27     1.09545   107.45663   -66.76389
   32    30 S   HC   HA32    28     1.09559   108.06117    49.69948
   33    29 S   CT   _C25    36     1.84367   101.41855   157.66079
   34    33 S   OM   _O37    37     1.31904   110.20191  -172.14740
   35    30 S   CO3  _C3_    29     1.52956   114.06629   171.77199
   36    35 S   O2Z  _O31    30     1.26373   116.06786     0.62558
   37    35 S   O2Z  _O32    31     1.26427   114.41191  -179.31386
   38    33 S   CT   _C26    38     1.54480   106.61795    72.78875
   39    38 S   HC   _H24    39     1.09732   111.36241   -65.32088
   40    38 S   HC   _H25    40     1.09993   111.19151   178.08869
   41    38 S   HC   _H26    41     1.09833   113.36477    57.05684
   42    33 S   OS   _O36    42     1.44550   115.53687   -42.62321
   43    42 S   CA   _C22    43     1.36658   124.72434   -62.84927
   44    43 S   CA   _C21    44     1.39330   127.13747     2.02042
   45    44 S   HA   _H21    45     1.08412   122.14889    -1.65114
   46    44 S   CA   _C20    46     1.40043   120.35358   178.13177
   47    46 S   HA   _H20    47     1.08769   118.61517  -178.51919
   48    46 S   CA   _C19    48     1.39952   120.77862     1.25023
   49    48 S   CA   _C24    49     1.39936   118.78879    -0.43476
   50    49 S   HA   _H23    50     1.08742   120.61432   179.90721
   51    48 S   CM   _C7_    53     1.48036   120.97755   179.69999
   52    43 S   CA   _C23    51     1.39967   113.98899  -178.70578
   53    52 S   HA   _H22    52     1.08766   119.94903     0.85180
   54    51 S   CM   _C6_    54     1.35446   120.94534    99.81825
   55    51 S   CT   _C8_    65     1.53232   117.20228   -79.09973
   56    54 S   CA   _C10    55     1.48366   116.60215  -179.35837
   57    55 S   CT   _C17    66     1.53984   111.75630    83.79342
   58    57 S   HC   _H14    67     1.09660   110.67948   171.68129
   59    57 S   HC   _H15    68     1.09611   111.38810    53.70068
   60    57 S   HC   _H16    69     1.09413   112.24420   -67.67500
   61    55 S   CT   _C18    70     1.54109   112.88414   -39.03070
   62    61 S   HC   _H17    71     1.09708   110.66790  -173.99616
   63    61 S   HC   _H18    72     1.09487   112.66312    65.48593
   64    61 S   HC   _H19    73     1.09661   110.89756   -56.57085
   65    54 S   CT   _C5_    81     1.51789   124.63496     1.15961
   66    65 S   HC   _H6_    82     1.09509   111.07618    30.12203
   67    65 S   HC   _H7_    83     1.09649   110.68245   144.76407
   68    56 S   CA   _C11    56     1.40710   123.23650   168.41894
   69    68 S   HA   _H8_    57     1.08625   121.47241    -2.08750
   70    65 S   CT   _C4_    84     1.52273   112.78208   -91.49426
   71    70 S   HC   _H3_    85     1.09393   112.13639   -59.65638
   72    70 S   HC   _H4_    86     1.09482   110.13086  -179.84174
   73    70 S   HC   _H5_    87     1.09279   110.80387    60.98919
   74    68 S   CA   _C12    58     1.39759   121.34535   177.77050
   75    74 S   HA   _H9_    59     1.08583   120.01081  -179.64064
   76    74 S   CA   _C13    60     1.38945   119.22185     0.14935
   77    76 S   CA   _C14    61     1.38951   121.03482    -0.95940
   78    77 S   HA   _H10    62     1.08613   120.47646  -178.72344
   79    76 S   OS   _O34    74     1.39524   119.46886  -177.83183
   80    56 S   CA   _C9_    63     1.40178   119.05129   -13.54983
   81    79 S   CO4  _C15    75     1.39017   112.78231   -91.13427
   82    81 S   O    _O35    76     1.22374   127.13928     0.07133
   83    80 S   OS   _O33    64     1.36621   122.70540     0.68671
   84    81 S   CT   _C16    77     1.49995   108.66424  -179.94065
   85    84 S   HC   _H11    78     1.09286   109.82602   -60.99092
   86    84 S   HC   _H12    79     1.09379   109.32422   179.98022
   87    84 S   HC   _H13    80     1.09286   109.82537    60.95938
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  12
   6   3  19   1   1  17  13  13   9   4   3   2   5   3   2   1
   8   5   4   8   4   3   2   1   1   7   3   8   5   3   7   1
   5   4   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    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  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    52  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    52    53  
   44    45    46    47    48    49    50    52    53  
   45    46    47    48    49    52    53    51  
   46    47    48    52  
   47    48    49    50    52    51    54    55  
   48    49    51  
   49    50    52    53    51    54    56    83    55    57    61    65  
   50    52    53    51    54    55  
   52    53    51  
   54    56    68    80    83    55    57    58    59    60    61    62    63    64    65    66    67    70    52  
   53  
    0  
   56    68    69    74    77    80    83    55    57    61    65    66    67    70    71    72    73  
   57    58    59    60    61    62    63    64    65    56    77    80    83  
   68    69    74    75    76    77    78    80    83    65    66    67    70  
   58    59    60    61    62    63    64    80    83  
   59    60    61    83  
   60    61    83  
   61    83  
   62    63    64    80    83  
   63    64    83  
   64    83  
   83  
   66    67    70    71    72    73    68    80  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    77    80    83    79  
   74    75    76    80  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    80    79    81  
   76    77    79  
   77    78    80    83    79    81    82    84  
   78    80    83    79    81  
   80    83    79  
   81    82    84    85    86    87    80  
   83  
   82    84    85    86    87  
   84    85    86    87  
    0  
   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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   320.000  1.460
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   51    54   549.000  1.340
   51    55   317.000  1.510
   54    56   320.000  1.460
   54    65   317.000  1.510
   56    68   469.000  1.400
   56    80   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    80   469.000  1.400
   80    83   450.000  1.364
   83    55   320.000  1.410
   55    57   268.000  1.529
   55    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   79    81   214.000  1.327
   81    82   570.000  1.229
   81    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    60.00000  118.70000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    60.00000  123.66000
   48    51    55    60.00000  124.00000
   49    52    53    35.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   51    48    49    60.00000  118.70000
   51    54    56    60.00000  123.20500
   51    54    65    70.00000  124.00000
   51    55    83    85.00000  110.90400
   51    55    57    70.00000  112.02700
   51    55    61    70.00000  112.02700
   54    56    68    60.00000  120.93500
   54    56    80    60.00000  120.93500
   54    65    66    35.00000  109.50000
   54    65    67    35.00000  109.50000
   54    65    70    70.00000  112.02700
   56    68    69    35.00000  120.00000
   56    68    74    63.00000  120.00000
   56    80    77    63.00000  120.00000
   56    80    83    70.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    76    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    80    63.00000  120.00000
   76    79    81    85.00000  115.98000
   77    80    83    70.00000  120.00000
   80    56    68    63.00000  120.00000
   80    77    78    35.00000  120.00000
   80    83    55    75.00000  111.00000
   83    55    57    50.00000  109.50000
   83    55    61    50.00000  109.50000
   55    51    54    70.00000  124.00000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    55    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   79    76    77    70.00000  120.00000
   79    81    82    83.00000  123.40000
   79    81    84    81.00000  111.40000
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    87    35.00000  109.50000
   84    81    82    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
   65    54    56    65.00000  118.87000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    54   0.15800  1.0 1.0
   46    48    51    54   1.85350 -1.0 2.0
   46    48    51    54  -0.48700  1.0 3.0
   46    48    51    55  -0.02500  1.0 1.0
   46    48    51    55  -0.32150 -1.0 2.0
   46    48    51    55  -0.01500  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    51    54    56   7.00000 -1.0 2.0
   48    51    54    65   7.00000 -1.0 2.0
   48    51    55    83   0.09700  1.0 1.0
   48    51    55    83   0.15600 -1.0 2.0
   48    51    55    83  -0.50800  1.0 3.0
   48    51    55    57  -0.01700  1.0 1.0
   48    51    55    57   0.06550 -1.0 2.0
   48    51    55    57  -0.91500  1.0 3.0
   48    51    55    61  -0.01700  1.0 1.0
   48    51    55    61   0.06550 -1.0 2.0
   48    51    55    61  -0.91500  1.0 3.0
   49    48    51    54   0.15800  1.0 1.0
   49    48    51    54   1.85350 -1.0 2.0
   49    48    51    54  -0.48700  1.0 3.0
   49    48    51    55  -0.02500  1.0 1.0
   49    48    51    55  -0.32150 -1.0 2.0
   49    48    51    55  -0.01500  1.0 3.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    56    68   0.15800  1.0 1.0
   51    54    56    68   1.85350 -1.0 2.0
   51    54    56    68  -0.48700  1.0 3.0
   51    54    56    80   0.15800  1.0 1.0
   51    54    56    80   1.85350 -1.0 2.0
   51    54    56    80  -0.48700  1.0 3.0
   51    54    65    66   0.00000  1.0 1.0
   51    54    65    67   0.00000  1.0 1.0
   51    54    65    70   0.09850  1.0 1.0
   51    54    65    70   0.15250 -1.0 2.0
   51    54    65    70  -0.50650  1.0 3.0
   51    55    57    58   0.15000  1.0 3.0
   51    55    57    59   0.15000  1.0 3.0
   51    55    57    60   0.15000  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    63   0.15000  1.0 3.0
   51    55    61    64   0.15000  1.0 3.0
   54    51    55    83   0.39000  1.0 1.0
   54    51    55    83  -0.05800 -1.0 2.0
   54    51    55    83  -0.55150  1.0 3.0
   54    51    55    57   0.09850  1.0 1.0
   54    51    55    57   0.15250 -1.0 2.0
   54    51    55    57  -0.50650  1.0 3.0
   54    51    55    61   0.09850  1.0 1.0
   54    51    55    61   0.15250 -1.0 2.0
   54    51    55    61  -0.50650  1.0 3.0
   54    56    68    69   3.62500 -1.0 2.0
   54    56    68    74   3.62500 -1.0 2.0
   54    56    80    77   3.62500 -1.0 2.0
   54    56   -80    83   3.62500 -1.0 2.0
   54    65    70    71   0.15000  1.0 3.0
   54    65    70    72   0.15000  1.0 3.0
   54    65    70    73   0.15000  1.0 3.0
   56    54    65    66   0.77000  1.0 3.0
   56    54    65    67   0.77000  1.0 3.0
   56    54    65    70  -0.01700  1.0 1.0
   56    54    65    70   0.06550 -1.0 2.0
   56    54    65    70  -0.91500  1.0 3.0
   56    68    74    75   3.62500 -1.0 2.0
   56    68    74    76   3.62500 -1.0 2.0
   56    80    83    55   1.63200 -1.0 2.0
   68    56    80    77   3.62500 -1.0 2.0
   68    56    80    83   3.62500 -1.0 2.0
   68    74   -76    77   3.62500 -1.0 2.0
   68    74    76    79   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    80   3.62500 -1.0 2.0
   74    76    79    81   0.01300  1.0 1.0
   74    76    79    81   0.97950 -1.0 2.0
   74    76    79    81  -0.55700  1.0 3.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77   -80    56   3.62500 -1.0 2.0
   76    77    80    83   3.62500 -1.0 2.0
   76    79    81    82   3.00000 -1.0 2.0
   76    79    81    84   0.75600  1.0 1.0
   76    79    81    84   1.63000 -1.0 2.0
   77    76    79    81   0.01300  1.0 1.0
   77    76    79    81   0.97950 -1.0 2.0
   77    76    79    81  -0.55700  1.0 3.0
   77    80    83    55   1.63200 -1.0 2.0
   78    77    80    56   3.62500 -1.0 2.0
   78    77    80    83   3.62500 -1.0 2.0
   80    56    68    69   3.62500 -1.0 2.0
   80    56   -68    74   3.62500 -1.0 2.0
   80    83   -55    51  -0.25600  1.0 1.0
   80    83   -55    51  -0.40050 -1.0 2.0
   80    83   -55    51   0.34700  1.0 3.0
   80    83    55    57  -0.32850  1.0 1.0
   80    83    55    57  -0.35800 -1.0 2.0
   80    83    55    57   0.33950  1.0 3.0
   80    83    55    61  -0.32850  1.0 1.0
   80    83    55    61  -0.35800 -1.0 2.0
   80    83    55    61   0.33950  1.0 3.0
   83    55    57    58   0.23400  1.0 3.0
   83    55    57    59   0.23400  1.0 3.0
   83    55    57    60   0.23400  1.0 3.0
   83    55    61    62   0.23400  1.0 3.0
   83    55    61    63   0.23400  1.0 3.0
   83    55    61    64   0.23400  1.0 3.0
   55    51   -54    56   7.00000 -1.0 2.0
   55    51    54    65   7.00000 -1.0 2.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    55    57    58   0.15000  1.0 3.0
   61    55    57    59   0.15000  1.0 3.0
   61    55    57    60   0.15000  1.0 3.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    80   3.62500 -1.0 2.0
   79    81    84    85   0.00000  1.0 1.0
   79    81    84    86   0.00000  1.0 1.0
   79    81    84    87   0.00000  1.0 1.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   82    81    84    87   0.00000  1.0 1.0
   65    54    56    68  -0.02500  1.0 1.0
   65    54    56    68  -0.32150 -1.0 2.0
   65    54    56    68  -0.01500  1.0 3.0
   65    54    56    80  -0.02500  1.0 1.0
   65    54    56    80  -0.32150 -1.0 2.0
   65    54    56    80  -0.01500  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  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
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    53    52    43   1.10000 -1.0 2.0
   48    55    51    54   1.10000 -1.0 2.0
   56    65    54    51   1.10000 -1.0 2.0
   68    80    56    54   4.00000 -1.0 2.0
   74    69    68    56   1.10000 -1.0 2.0
   76    75    74    68   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   80    78    77    76   1.10000 -1.0 2.0
   77    83    80    56   4.00000 -1.0 2.0
   79    84    81    82  10.50000 -1.0 2.0
END
