* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    158    257     473
    1     0 S   NP   _N1_     1    29.45520    94.32648   -24.94788
    2     1 S   H    _HN1     2     1.02964    81.78722    19.65892
    3     1 S   H    _H1_     3     1.02836    25.38362  -166.03002
    4     1 S   H    _H2_     4     1.02782   114.86217   -86.76909
    5     1 S   CT   _CA1     5     1.50123   123.88226   128.76159
    6     5 S   HC   _HA1     6     1.09575   105.24382    83.81528
    7     5 S   CO3  _C1_     7     1.53776   112.39695   -36.40750
    8     7 S   O2Z  _O11     8     1.26356   115.00712   -44.03543
    9     7 S   O2Z  _O12     9     1.26239   114.91164   135.17084
   10     5 S   CT   _CB1    10     1.53081   107.40597  -158.29378
   11    10 S   HC   HB11    11     1.09828   109.28919   -51.09862
   12    10 S   HC   HB12    12     1.09825   110.41010    65.40302
   13    10 S   CT   _CG1    13     1.53030   112.74874  -172.23858
   14    13 S   HC   HG11    14     1.09591   110.44770   -63.84952
   15    13 S   HC   HG12    15     1.09645   110.03389    55.43952
   16    13 S   C    _CD1    16     1.51770   112.19316   175.72694
   17    16 S   O    _OE1    17     1.22733   123.22936    -3.06216
   18    16 S   N    _N2_    18     1.38665   111.78383   177.20194
   19    18 S   H    _HN2    19     1.01585   119.19233     1.02336
   20    18 S   CT1  _CA2    20     1.45985   123.00047  -179.93744
   21    20 S   HC   _HA2    21     1.09378   108.83243    -8.84091
   22    20 S   C    _C2_    22     1.53300   108.72045  -123.50193
   23    22 S   O    _O2_    23     1.23017   122.28277  -144.40933
   24    20 S   CT   _CB2    32     1.53338   111.97266   113.62852
   25    24 S   HC   HB21    33     1.09675   109.31627    60.43145
   26    24 S   HC   HB22    34     1.09485   111.14330   177.24380
   27    22 S   N    _N3_    24     1.38524   113.37975    43.32421
   28    27 S   H    _HN3    25     1.01504   119.06662    -1.02641
   29    24 S   S    _SG2    35     1.83055   114.81713   -58.80992
   30    27 S   CT   _CA3    26     1.45402   122.93399   174.72318
   31    30 S   HC   HA31    27     1.09555   108.65932    34.61054
   32    30 S   HC   HA32    28     1.09477   107.24357   151.58081
   33    29 S   CT   _C15    36     1.85111   101.14940   -68.16844
   34    33 S   HC   _H4_    37     1.09115   105.78858    52.89740
   35    30 S   CO3  _C3_    29     1.52961   113.64626   -88.37214
   36    35 S   O2Z  _O31    30     1.26400   115.68777   -36.46578
   37    35 S   O2Z  _O32    31     1.26368   114.83856   144.41967
   38    33 S   CA   _C16    38     1.52901   111.35845   -67.93638
   39    33 S   CT   _C14    67     1.53790   108.00393   167.32859
   40    39 S   HC   _H10    68     1.09604   113.31275    78.18679
   41    39 S   HC   _H11    69     1.09862   111.41681   -40.92226
   42    38 S   CA   _C17    39     1.41200   118.99563   -61.48454
   43    42 S   HA   _H12    40     1.08823   120.39312    -1.91326
   44    39 S   CO4  _C13    70     1.50945   111.22047  -157.83923
   45    44 S   O    _O36    71     1.22476   123.27239    75.66186
   46    42 S   CA   _C18    41     1.39387   121.65722   176.90509
   47    46 S   HA   _H13    42     1.08601   119.40094  -179.47214
   48    44 S   OS   _O35    72     1.36254   110.66460  -104.37848
   49    46 S   CA   _C19    43     1.38805   119.48906     0.04846
   50    48 S   CT   _C11    73     1.44430   116.10088  -174.83036
   51    50 S   HC   _H3_    74     1.09682   110.20293   -41.55694
   52    49 S   CA   _C20    44     1.39538   120.42740     0.88999
   53    49 S   OH   _O40    65     1.36847   120.21670  -179.63203
   54    53 S   HO   _H22    66     0.97212   108.76264     1.48543
   55    50 S   CO3  _C12    75     1.53791   108.88962    79.92890
   56    55 S   O2Z  _O34    76     1.26354   116.02811    41.06288
   57    55 S   O2Z  _O33    77     1.26470   114.49854  -139.43585
   58    50 S   CT   _C10    78     1.53074   109.31801  -164.35020
   59    58 S   HC   _H8_    79     1.09804   110.09400   -44.59289
   60    58 S   HC   _H9_    80     1.09809   110.97512  -162.04735
   61    38 S   CA   _C21    45     1.41868   122.62708   116.59764
   62    52 S   OH   _O39    63     1.37293   116.89873   179.24050
   63    62 S   HO   _H21    64     0.97073   109.94928  -175.26352
   64    58 S   CA   _C9_    81     1.51142   112.29861    77.32637
   65    61 S   CM   _C22    46     1.47115   121.28872     3.37394
   66    65 S   HC   _H14    47     1.08409   115.52902   -99.14007
   67    64 S   CA   _C4_    82     1.40117   120.53879  -110.67568
   68    67 S   HA   _H5_    83     1.08724   120.41349     0.16902
   69    65 S   CM   _C23    48     1.34163   121.04403    81.29593
   70    69 S   HC   _H15    49     1.08806   118.51529     0.44323
   71    67 S   CA   _C5_    84     1.39609   120.49467  -179.87646
   72    71 S   HA   _H6_    85     1.08607   119.33206   179.73459
   73    69 S   CA   _C24    50     1.47399   126.35467  -178.54277
   74    71 S   CA   _C6_    86     1.39318   119.84057    -0.96550
   75    73 S   CA   _C25    51     1.40573   117.94435  -177.67005
   76    75 S   HA   _H16    52     1.08816   120.58188     0.36530
   77    74 S   CA   _C7_    87     1.39136   120.15366     1.14944
   78    74 S   OH   _O42    92     1.36703   120.40819  -178.59013
   79    78 S   HO   _H24    93     0.97242   108.57883     3.89843
   80    75 S   CA   _C26    53     1.39726   121.13295  -179.27368
   81    80 S   HA   _H17    54     1.08610   119.34398   179.92598
   82    64 S   CA   _C8_    88     1.40346   120.34040    69.59034
   83    82 S   HA   _H7_    89     1.08727   119.66266     0.24469
   84    77 S   OH   _O41    90     1.36718   119.37260  -179.97202
   85    84 S   HO   _H23    91     0.97200   108.71645   179.28099
   86    80 S   CA   _C27    55     1.39126   119.63490     0.15826
   87    86 S   CA   _C28    56     1.39160   120.03922     0.03956
   88    86 S   OH   _O38    61     1.36695   120.48281   179.89532
   89    88 S   HO   _H20    62     0.97192   108.71833    -0.18345
   90    73 S   CA   _C29    57     1.40332   123.63646     3.44855
   91    90 S   HA   _H18    58     1.08606   120.88473    -0.48779
   92    87 S   OH   _O37    59     1.36799   119.06930   179.81869
   93    92 S   HO   _H19    60     0.97739   109.28588   179.67016
  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   9   5   4   3
  14   7   2   1   1  15   8   4   3   8   4   6   2   7   3   9
   7  10   7   8   3   1   6   2   1   9   4   3   7   2   1   9
   6   3   8   4   8   3   7   3   9   7   8   4   6   3   1   7
   3   3   1   1   1   7   6   3   1   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    61    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    61    65    39    40    41    44    45    48  
   38    42    61    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    61    65    66    69    62    39    40    41    44  
   40    41    44    45    48    50    42    61  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    61    65    53  
   46    47    49    61  
   45    48    50    51    55    58  
   48    50  
   47    49    52    61    62    53    54  
   49    52    53  
   50    51    55    56    57    58    59    60    64  
   52    61    65    62    63    53    54  
   51    55    56    57    58    59    60    64    67    82  
   55    56    57    58    59    60    64  
   61    65    66    69    62    63    53    54  
   54    61    62  
    0  
   56    57    58    59    60    64  
   57    58  
   58  
   59    60    64    67    68    71    77    82    83  
   60    64    67    82  
   64    67    82  
   65    66    69    70    73    62    63  
   63    65  
    0  
   67    68    71    72    74    77    82    83    84  
   66    69    70    73    75    90  
   69    70    73  
   68    71    72    74    77    82    83    78  
   71    72    74    82  
   70    73    75    76    80    87    90    91  
   73    75    90  
   72    74    77    82    84    78    79  
   74    77    78  
   75    76    80    81    86    87    90    91    92  
   77    82    83    84    85    78    79  
   76    80    81    86    87    90    91    88  
   80    81    86    90  
   82    83    84    85    78    79  
   79    82    84  
    0  
   81    86    87    90    92    88    89  
   86    87    88  
   83    84    85  
   84  
   85  
    0  
   87    90    91    92    93    88    89  
   90    91    92    93    88    89  
   89    90    92  
    0  
   91    92    93  
   92  
   93  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    61   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    61   469.000  1.400
   52    62   450.000  1.364
   61    65   320.000  1.460
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    73   320.000  1.460
   73    75   469.000  1.400
   73    90   469.000  1.400
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   469.000  1.400
   86    88   450.000  1.364
   87    90   469.000  1.400
   87    92   450.000  1.364
   90    91   367.000  1.080
   92    93   553.000  0.945
   88    89   553.000  0.945
   62    63   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   317.000  1.522
   50    58   268.000  1.529
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    67   469.000  1.400
   64    82   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    77   469.000  1.400
   74    78   450.000  1.364
   77    82   469.000  1.400
   77    84   450.000  1.364
   82    83   367.000  1.080
   84    85   553.000  0.945
   78    79   553.000  0.945
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    61    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    61    52    63.00000  120.00000
   38    61    65    60.00000  120.93500
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    61    63.00000  120.00000
   49    52    62    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    61    65    60.00000  120.93500
   52    62    63    35.00000  113.00000
   61    38    42    63.00000  120.00000
   61    65    66    40.00000  117.26300
   61    65    69    60.00000  123.20500
   65    69    70    35.00000  120.00000
   65    69    73    60.00000  123.20500
   69    65    66    35.00000  120.00000
   69    73    75    60.00000  120.93500
   69    73    90    60.00000  120.93500
   73    69    70    40.00000  117.26300
   73    75    76    35.00000  120.00000
   73    75    80    63.00000  120.00000
   73    90    87    63.00000  120.00000
   73    90    91    35.00000  120.00000
   75    80    81    35.00000  120.00000
   75    80    86    63.00000  120.00000
   80    75    76    35.00000  120.00000
   80    86    87    63.00000  120.00000
   80    86    88    70.00000  120.00000
   86    80    81    35.00000  120.00000
   86    87    90    63.00000  120.00000
   86    87    92    70.00000  120.00000
   86    88    89    35.00000  113.00000
   87    90    91    35.00000  120.00000
   87    92    93    35.00000  113.00000
   90    73    75    63.00000  120.00000
   92    87    90    70.00000  120.00000
   88    86    87    70.00000  120.00000
   62    52    61    70.00000  120.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    85.00000  109.63000
   48    50    58    50.00000  109.50000
   50    55    56    70.00000  117.00000
   50    55    57    70.00000  117.00000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    64    70.00000  112.17500
   55    50    51    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    50    51    37.50000  110.70000
   58    50    55    70.00000  109.69300
   58    64    67    70.00000  120.00000
   58    64    82    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   64    82    77    63.00000  120.00000
   64    82    83    35.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    74    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    74    77    63.00000  120.00000
   71    74    78    70.00000  120.00000
   74    71    72    35.00000  120.00000
   74    77    82    63.00000  120.00000
   74    77    84    70.00000  120.00000
   74    78    79    35.00000  113.00000
   77    82    83    35.00000  120.00000
   77    84    85    35.00000  113.00000
   82    64    67    63.00000  120.00000
   84    77    82    70.00000  120.00000
   78    74    77    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    61    52   3.62500 -1.0 2.0
   33    38    61    65   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    61   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   38    61    65    66   0.56550  1.0 3.0
   38    61    65    69   0.15800  1.0 1.0
   38    61    65    69   1.85350 -1.0 2.0
   38    61    65    69  -0.48700  1.0 3.0
   42    38    61    52   3.62500 -1.0 2.0
   42    38    61    65   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    61   3.62500 -1.0 2.0
   46    49    52    62   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -61    38   3.62500 -1.0 2.0
   49    52    61    65   3.62500 -1.0 2.0
   49    52    62    63   0.84100 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    61    65    66   0.56550  1.0 3.0
   52    61    65    69   0.15800  1.0 1.0
   52    61    65    69   1.85350 -1.0 2.0
   52    61    65    69  -0.48700  1.0 3.0
   61    38    42    43   3.62500 -1.0 2.0
   61    38   -42    46   3.62500 -1.0 2.0
   61    52    62    63   0.84100 -1.0 2.0
   61    65    69    70   7.00000 -1.0 2.0
   61    65    69    73   7.00000 -1.0 2.0
   65    69    73    75   0.15800  1.0 1.0
   65    69    73    75   1.85350 -1.0 2.0
   65    69    73    75  -0.48700  1.0 3.0
   65    69    73    90   0.15800  1.0 1.0
   65    69    73    90   1.85350 -1.0 2.0
   65    69    73    90  -0.48700  1.0 3.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    73   7.00000 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73    75    80   3.62500 -1.0 2.0
   69    73    90    87   3.62500 -1.0 2.0
   69    73    90    91   3.62500 -1.0 2.0
   70    69    73    75   0.56550  1.0 3.0
   70    69    73    90   0.56550  1.0 3.0
   73    75    80    81   3.62500 -1.0 2.0
   73    75    80    86   3.62500 -1.0 2.0
   75    73    90    87   3.62500 -1.0 2.0
   75    73    90    91   3.62500 -1.0 2.0
   75    80   -86    87   3.62500 -1.0 2.0
   75    80    86    88   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   76    75    80    86   3.62500 -1.0 2.0
   80    86    87    90   3.62500 -1.0 2.0
   80    86    87    92   3.62500 -1.0 2.0
   80    86    88    89   0.84100 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   81    80    86    88   3.62500 -1.0 2.0
   86    87   -90    73   3.62500 -1.0 2.0
   86    87    90    91   3.62500 -1.0 2.0
   86    87    92    93   0.84100 -1.0 2.0
   87    86    88    89   0.84100 -1.0 2.0
   90    73    75    76   3.62500 -1.0 2.0
   90    73   -75    80   3.62500 -1.0 2.0
   90    87    92    93   0.84100 -1.0 2.0
   92    87    90    73   3.62500 -1.0 2.0
   92    87    90    91   3.62500 -1.0 2.0
   88    86    87    90   3.62500 -1.0 2.0
   88    86    87    92   3.62500 -1.0 2.0
   62    52    61    38   3.62500 -1.0 2.0
   62    52    61    65   3.62500 -1.0 2.0
   53    49    52    61   3.62500 -1.0 2.0
   53    49    52    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    61   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -1.80650  1.0 1.0
   44    48    50    55   0.63900 -1.0 2.0
   44    48    50    55   0.03650  1.0 3.0
   44    48    50    58  -0.25900  1.0 1.0
   44    48    50    58  -0.47000 -1.0 2.0
   44    48    50    58   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.30150 -1.0 2.0
   48    50    55    57   0.30150 -1.0 2.0
   48    50    58    59   0.23400  1.0 3.0
   48    50    58    60   0.23400  1.0 3.0
   48    50    58    64  -0.64350  1.0 1.0
   48    50    58    64  -0.04200 -1.0 2.0
   48    50    58    64   0.19800  1.0 3.0
   50    58    64    67   0.04150 -1.0 2.0
   50    58    64    82   0.04150 -1.0 2.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    64   0.43200  1.0 3.0
   55    50    58    59  -0.11250  1.0 3.0
   55    50    58    60  -0.11250  1.0 3.0
   55    50    58    64  -2.95950  1.0 1.0
   55    50    58    64   0.02300  1.0 3.0
   58    50    55    56   0.41150 -1.0 2.0
   58    50    55    57   0.41150 -1.0 2.0
   58    64    67    68   3.62500 -1.0 2.0
   58    64    67    71   3.62500 -1.0 2.0
   58    64    82    77   3.62500 -1.0 2.0
   58    64    82    83   3.62500 -1.0 2.0
   59    58    64    67   0.00000  1.0 1.0
   59    58    64    82   0.00000  1.0 1.0
   60    58    64    67   0.00000  1.0 1.0
   60    58    64    82   0.00000  1.0 1.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    74   3.62500 -1.0 2.0
   67    64    82    77   3.62500 -1.0 2.0
   67    64    82    83   3.62500 -1.0 2.0
   67    71   -74    77   3.62500 -1.0 2.0
   67    71    74    78   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    74   3.62500 -1.0 2.0
   71    74    77    82   3.62500 -1.0 2.0
   71    74    77    84   3.62500 -1.0 2.0
   71    74    78    79   0.84100 -1.0 2.0
   72    71    74    77   3.62500 -1.0 2.0
   72    71    74    78   3.62500 -1.0 2.0
   74    77   -82    64   3.62500 -1.0 2.0
   74    77    82    83   3.62500 -1.0 2.0
   74    77    84    85   0.84100 -1.0 2.0
   77    74    78    79   0.84100 -1.0 2.0
   82    64    67    68   3.62500 -1.0 2.0
   82    64   -67    71   3.62500 -1.0 2.0
   82    77    84    85   0.84100 -1.0 2.0
   84    77    82    64   3.62500 -1.0 2.0
   84    77    82    83   3.62500 -1.0 2.0
   78    74    77    82   3.62500 -1.0 2.0
   78    74    77    84   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
   36    30    35    37  10.50000 -1.0 2.0
   42    61    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   61    62    52    49   4.00000 -1.0 2.0
   52    65    61    38   4.00000 -1.0 2.0
   61    66    65    69  15.00000 -1.0 2.0
   73    70    69    65  15.00000 -1.0 2.0
   75    90    73    69   4.00000 -1.0 2.0
   80    76    75    73   1.10000 -1.0 2.0
   86    81    80    75   1.10000 -1.0 2.0
   87    88    86    80   4.00000 -1.0 2.0
   90    92    87    86   4.00000 -1.0 2.0
   87    91    90    73   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   56    50    55    57  10.50000 -1.0 2.0
   67    82    64    58   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   74    72    71    67   1.10000 -1.0 2.0
   77    78    74    71   4.00000 -1.0 2.0
   82    84    77    74   4.00000 -1.0 2.0
   77    83    82    64   1.10000 -1.0 2.0
END
