* LIGAND DATABASE FILE (OPLS2005)
*
001      95    98    166    253     476
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02145    96.18211   -57.93071
    3     1 S   H    _H1_     3     1.02067    83.56463    50.27865
    4     1 S   H    _H2_     4     1.02161    34.36081  -172.24789
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C18    36     1.83485    97.76150  -178.16645
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C17    37     1.52570   109.45329  -160.01746
   38    33 S   OS   _O36    91     1.42666   110.68800   -39.51470
   39    37 S   CM   _C16    38     1.35217   123.08756  -104.53577
   40    37 S   NE   _N6_    88     1.37658   114.28266    75.20335
   41    40 S   H    _H12    89     0.99075   118.02702  -179.67016
   42    40 S   H    _H13    90     0.99138   118.03908     0.26541
   43    38 S   CT   _C20    92     1.41838   111.36369   179.41183
   44    43 S   HC   _H9_    93     1.09310   109.52950  -179.97202
   45    43 S   HC   _H10    94     1.09324   109.54486    59.21155
   46    43 S   HC   _H11    95     1.09309   109.01280   -60.41255
   47    39 S   CA   _C15    39     1.46169   119.47538    -1.34538
   48    39 S   OH   _O37    86     1.37848   124.14029   178.59041
   49    48 S   HO   _H14    87     0.96167   109.68562     0.03426
   50    47 S   CA   _C14    40     1.46532   121.82767    -7.66739
   51    50 S   CA   _C13    41     1.34426   118.36074  -178.82031
   52    51 S   HA   _H7_    42     1.08559   121.17293  -179.78239
   53    33 S   CO4  _C19    84     1.53073   106.20030    73.72068
   54    53 S   O    _O35    85     1.22949   122.29739   -77.64878
   55    51 S   CA   _C12    43     1.45622   123.32860    -0.08156
   56    55 S   HA   _H6_    44     1.08600   116.62168  -179.80218
   57    55 S   CA   _C11    45     1.34835   121.89043     0.29475
   58    57 S   CA   _C8_    46     1.47311   121.95157  -179.89532
   59    47 S   NAP  _N5_    82     1.55108   120.87200   173.68801
   60    59 S   H    _H8_    83     1.02004   121.38550    -2.02246
   61    58 S   CA   _C7_    47     1.38579   121.43657   -90.04972
   62    61 S   CA   _C6_    48     1.39034   117.93000  -180.00000
   63    61 S   NE   _N7_    79     1.41132   120.96354    -0.04846
   64    63 S   H    _H15    80     0.99923   119.15170   176.85838
   65    63 S   H    _H16    81     0.99996   119.15470     3.19347
   66    62 S   CA   _C21    49     1.45261   120.35585   179.94766
   67    62 S   CA   _C5_    69     1.39058   119.68085    -0.00000
   68    66 S   CA   _C22    50     1.39527   119.09404    90.04815
   69    68 S   HA   _H17    51     1.08811   120.88896     0.11869
   70    67 S   CA   _C9_    70     1.38480   117.95573    -0.00000
   71    67 S   CT   _C4_    75     1.49551   121.38460  -179.94065
   72    71 S   HC   _H3_    76     1.09527   110.22579    90.04249
   73    71 S   HC   _H4_    77     1.09699   111.07914  -149.50201
   74    71 S   HC   _H5_    78     1.09684   111.12658   -30.52295
   75    68 S   CA   _C23    52     1.39427   120.02099  -179.95154
   76    75 S   HA   _H18    53     1.08689   119.60233  -179.91844
   77    58 S   NB   _N4_    71     1.35146   114.54025    89.94084
   78    70 S   CO3  _C10    72     1.47739   120.04123   180.00000
   79    78 S   O2Z  _O34    73     1.28544   118.61128   -89.96397
   80    78 S   O2Z  _O33    74     1.28587   118.53193    90.00480
   81    75 S   CA   _C24    54     1.39445   120.00450     0.03426
   82    81 S   CA   _C25    55     1.39562   120.02003     0.00000
   83    81 S   OS   _O40    64     1.36272   119.42520  -180.00000
   84    66 S   CA   _C26    56     1.39445   120.93136   -89.87385
   85    82 S   OS   _O39    59     1.36302   119.91884   179.92598
   86    83 S   CT   _C28    65     1.42649   117.00502    -0.07133
   87    86 S   HC   _H23    66     1.09223   109.52563   179.96574
   88    86 S   HC   _H24    67     1.09318   109.47727    59.21872
   89    86 S   HC   _H25    68     1.09236   109.00316   -60.40985
   90    84 S   OH   _O38    57     1.36477   120.64922     0.04846
   91    90 S   HO   _H19    58     0.96912   110.07579     0.02798
   92    85 S   CT   _C27    60     1.42558   116.99358    89.96627
   93    92 S   HC   _H20    61     1.09282   109.56598   179.95577
   94    92 S   HC   _H21    62     1.09327   109.47575    59.21139
   95    92 S   HC   _H22    63     1.09289   109.01401   -60.42167
  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
  16   2   1   1  13   9  12   5   1   1   4   2   1   1  12   3
   1   9   8   4   3   1   7   3   8  12   3   1  11  18   5   1
   1  13  11   8   4   8   5   2   1   1   7   3   3   2   1   1
  10  10   6   4   5   3   2   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    50    53    54    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    47    50    51    53    54    48    40    41    42    38    43    44    45    46  
   35    36  
   36  
    0  
   39    47    50    59    53    54    48    49    40    41    42    38    43  
   43    44    45    46    39    40    50    53    54  
   47    50    51    57    59    60    53    48    49    40    41    42  
   41    42    47    48    53  
   42  
    0  
   44    45    46    53  
   45    46  
   46  
    0  
   50    51    52    55    57    58    59    60    53    54    48    49  
   49    50    59  
    0  
   51    52    55    56    57    59    60    53    54  
   52    55    56    57    58    59    53    54  
   55    56    57    53  
   54    55    59  
    0  
   56    57    58    61    77    59    60  
   57    58    59  
   58    61    62    70    77    63    59    60  
   61    62    66    67    70    77    78    63    64    65    59    60  
   60    61    77  
    0  
   62    66    68    84    67    70    77    71    63    64    65  
   66    68    69    75    82    84    90    67    70    77    78    71    72    73    74    63    64    65  
   64    65    66    67    77  
   65  
    0  
   68    69    75    76    81    82    84    90    91    85    67    70    71  
   70    77    78    79    80    71    72    73    74    68    84  
   69    75    76    81    82    84    90    83  
   75    76    81    84  
   77    78    79    80    71    72    73    74  
   72    73    74    77    78  
   73    74  
   74  
    0  
   76    81    82    84    85    83    86  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    84    90    85    92    83    86    87    88    89  
   84    90    91    85    92    93    94    95    83    86  
   86    87    88    89    84    85  
   90    91    85    92  
   92    93    94    95    90  
   87    88    89  
   88    89  
   89  
    0  
   91  
    0  
   93    94    95  
   94    95  
   95  
    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   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   41   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   42   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700   0.315300   2.5000   1.7750   0.001000000  -0.843144165
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.150700   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.315300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   60   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.092000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.292000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   78   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.030000   1.4250   1.2500   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   317.000  1.522
   33    38   320.000  1.410
   37    39   549.000  1.340
   37    40   425.000  1.378
   39    47   320.000  1.460
   39    48   510.000  1.338
   47    50   469.000  1.400
   47    59   485.000  1.342
   50    51   469.000  1.400
   50    53   310.000  1.470
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   375.000  1.464
   57    59   485.000  1.342
   58    61   469.000  1.400
   58    77   483.000  1.339
   61    62   469.000  1.400
   61    63   481.000  1.340
   62    66   375.000  1.464
   62    67   469.000  1.400
   66    68   469.000  1.400
   66    84   469.000  1.400
   68    69   367.000  1.080
   68    75   469.000  1.400
   75    76   367.000  1.080
   75    81   469.000  1.400
   81    82   469.000  1.400
   81    83   450.000  1.364
   82    84   469.000  1.400
   82    85   450.000  1.364
   84    90   450.000  1.364
   90    91   553.000  0.945
   85    92   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   83    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   67    70   469.000  1.400
   67    71   317.000  1.510
   70    77   483.000  1.339
   70    78   400.000  1.490
   78    79   656.000  1.250
   78    80   656.000  1.250
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   63    64   434.000  1.010
   63    65   434.000  1.010
   59    60   475.000  1.020
   53    54   570.000  1.229
   48    49   553.000  0.945
   40    41   434.000  1.010
   40    42   434.000  1.010
   38    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    40    75.00000  116.24600
   33    53    50    65.00000  115.47100
   33    53    54    80.00000  120.40000
   33    38    43    60.00000  109.50000
   37    39    47    60.00000  123.20500
   37    39    48    80.00000  121.38400
   37    40    41    35.00000  114.50000
   37    40    42    35.00000  114.50000
   39    47    50    60.00000  120.93500
   39    47    59    70.00000  118.40000
   39    48    49    70.00000  107.45700
   47    50    51    63.00000  120.00000
   47    50    53    60.00000  119.52600
   47    59    57    70.00000  123.81700
   47    59    60    45.00000  117.56800
   50    51    52    35.00000  120.00000
   50    51    55    63.00000  120.00000
   50    53    54    75.00000  123.78400
   51    55    56    35.00000  120.00000
   51    55    57    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    57    58    60.00000  122.76000
   55    57    59    70.00000  119.29800
   57    55    56    35.00000  120.00000
   57    58    61    60.00000  122.76000
   57    58    77    70.00000  116.69200
   57    59    60    45.00000  117.56800
   58    61    62    63.00000  120.00000
   58    61    63    70.00000  120.10000
   58    77    70    70.00000  117.00000
   61    62    66    60.00000  122.76000
   61    62    67    63.00000  120.00000
   61    63    64    35.00000  113.50000
   61    63    65    35.00000  113.50000
   62    66    68    60.00000  122.76000
   62    66    84    60.00000  122.76000
   62    67    70    63.00000  120.00000
   62    67    71    70.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    75    63.00000  120.00000
   66    84    82    63.00000  120.00000
   66    84    90    70.00000  120.00000
   68    75    76    35.00000  120.00000
   68    75    81    63.00000  120.00000
   75    68    69    35.00000  120.00000
   75    81    82    63.00000  120.00000
   75    81    83    70.00000  120.00000
   81    75    76    35.00000  120.00000
   81    82    84    63.00000  120.00000
   81    82    85    70.00000  120.00000
   81    83    86    75.00000  111.00000
   82    84    90    70.00000  120.00000
   82    85    92    75.00000  111.00000
   84    66    68    63.00000  120.00000
   84    90    91    35.00000  113.00000
   85    82    84    70.00000  120.00000
   85    92    93    35.00000  109.50000
   85    92    94    35.00000  109.50000
   85    92    95    35.00000  109.50000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   83    81    82    70.00000  120.00000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   67    62    66    60.00000  122.76000
   67    70    77    70.00000  124.00000
   67    70    78    85.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   70    78    79    80.00000  120.40000
   70    78    80    80.00000  120.40000
   77    58    61    70.00000  124.00000
   78    70    77    75.00000  117.56100
   80    78    79    80.00000  126.00000
   71    67    70    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   63    61    62    70.00000  120.10000
   65    63    64    35.00000  109.00000
   59    47    50    70.00000  119.29800
   59    57    58    70.00000  116.69200
   53    33    37    70.00000  109.06800
   53    50    51    60.00000  119.52600
   48    39    47    85.00000  114.86500
   40    37    39    70.00000  124.03900
   42    40    41    35.00000  109.00000
   38    33    37    85.00000  110.90400
   38    33    53    90.00000  108.74100
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   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    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    53    50   0.65300  1.0 1.0
   29    33    53    50  -0.03850 -1.0 2.0
   29    33    53    50   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    38    43   0.14700  1.0 1.0
   29    33    38    43  -1.16150 -1.0 2.0
   29    33    38    43   0.48700  1.0 3.0
   33    37    39    47   7.00000 -1.0 2.0
   33    37    39    48   7.00000 -1.0 2.0
   33    37    40    41   2.40850 -1.0 2.0
   33    37    40    42   2.40850 -1.0 2.0
   33    38    43    44   0.37050  1.0 3.0
   33    38    43    45   0.37050  1.0 3.0
   33    38    43    46   0.37050  1.0 3.0
   37    33    53    50   0.65300  1.0 1.0
   37    33    53    50  -0.03850 -1.0 2.0
   37    33    53    50   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    38    43  -0.77900  1.0 1.0
   37    33    38    43  -0.36900 -1.0 2.0
   37    33    38    43   0.40400  1.0 3.0
   37    39   -47    50   0.15800  1.0 1.0
   37    39   -47    50   1.85350 -1.0 2.0
   37    39   -47    50  -0.48700  1.0 3.0
   37    39    47    59   0.11450  1.0 1.0
   37    39    47    59   1.85100 -1.0 2.0
   37    39    47    59  -0.49050  1.0 3.0
   37    39    48    49  -0.66100  1.0 1.0
   37    39    48    49   1.20850 -1.0 2.0
   37    39    48    49  -0.36000  1.0 3.0
   39    37    40    41   1.00000 -1.0 2.0
   39    37    40    42   1.00000 -1.0 2.0
   39    47    50    51   3.62500 -1.0 2.0
   39    47    50    53   3.62500 -1.0 2.0
   39    47    59    57   3.62500 -1.0 2.0
   39    47    59    60   3.62500 -1.0 2.0
   47    39    48    49   2.00000 -1.0 2.0
   47    50    51    52   3.62500 -1.0 2.0
   47    50    51    55   3.62500 -1.0 2.0
   47    50   -53    33   2.26350  1.0 1.0
   47    50   -53    33   0.76750 -1.0 2.0
   47    50   -53    33   0.22500  1.0 3.0
   47    50    53    54   1.05000 -1.0 2.0
   50    47    59    57   3.62500 -1.0 2.0
   50    47    59    60   3.62500 -1.0 2.0
   50    51    55    56   3.62500 -1.0 2.0
   50    51   -55    57   3.62500 -1.0 2.0
   51    50    53    33   2.26350  1.0 1.0
   51    50    53    33   0.76750 -1.0 2.0
   51    50    53    33   0.22500  1.0 3.0
   51    50    53    54   1.05000 -1.0 2.0
   51    55    57    58   3.62500 -1.0 2.0
   51    55    57    59   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    57   3.62500 -1.0 2.0
   55    57    58    61  -0.19450  1.0 1.0
   55    57    58    61   0.63300 -1.0 2.0
   55    57    58    61   0.07450  1.0 3.0
   55    57    58    77   0.04300  1.0 1.0
   55    57    58    77   0.58850 -1.0 2.0
   55    57    58    77   0.22750  1.0 3.0
   55    57   -59    47   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    58    61    62   3.62500 -1.0 2.0
   57    58    61    63   3.62500 -1.0 2.0
   57    58    77    70   3.62500 -1.0 2.0
   58    57    59    47   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    61    62    66   3.62500 -1.0 2.0
   58    61    62    67   3.62500 -1.0 2.0
   58    61    63    64   1.00000 -1.0 2.0
   58    61    63    65   1.00000 -1.0 2.0
   61    58    77    70   3.62500 -1.0 2.0
   61    62    66    68  -0.19450  1.0 1.0
   61    62    66    68   0.63300 -1.0 2.0
   61    62    66    68   0.07450  1.0 3.0
   61    62    66    84  -0.19450  1.0 1.0
   61    62    66    84   0.63300 -1.0 2.0
   61    62    66    84   0.07450  1.0 3.0
   61    62   -67    70   3.62500 -1.0 2.0
   61    62    67    71   3.62500 -1.0 2.0
   62    61    63    64   1.00000 -1.0 2.0
   62    61    63    65   1.00000 -1.0 2.0
   62    66    68    69   3.62500 -1.0 2.0
   62    66    68    75   3.62500 -1.0 2.0
   62    66    84    82   3.62500 -1.0 2.0
   62    66    84    90   3.62500 -1.0 2.0
   62    67    70    77   3.62500 -1.0 2.0
   62    67    70    78   3.62500 -1.0 2.0
   62    67    71    72   0.00000  1.0 1.0
   62    67    71    73   0.00000  1.0 1.0
   62    67    71    74   0.00000  1.0 1.0
   66    62    67    70   3.62500 -1.0 2.0
   66    62    67    71   3.62500 -1.0 2.0
   66    68    75    76   3.62500 -1.0 2.0
   66    68    75    81   3.62500 -1.0 2.0
   66    84    90    91   0.84100 -1.0 2.0
   68    66    84    82   3.62500 -1.0 2.0
   68    66    84    90   3.62500 -1.0 2.0
   68    75   -81    82   3.62500 -1.0 2.0
   68    75    81    83   3.62500 -1.0 2.0
   69    68    75    76   3.62500 -1.0 2.0
   69    68    75    81   3.62500 -1.0 2.0
   75    81    82    84   3.62500 -1.0 2.0
   75    81    82    85   3.62500 -1.0 2.0
   75    81    83    86   1.63200 -1.0 2.0
   76    75    81    82   3.62500 -1.0 2.0
   76    75    81    83   3.62500 -1.0 2.0
   81    82   -84    66   3.62500 -1.0 2.0
   81    82    84    90   3.62500 -1.0 2.0
   81    82    85    92   1.63200 -1.0 2.0
   81    83    86    87   0.08050  1.0 3.0
   81    83    86    88   0.08050  1.0 3.0
   81    83    86    89   0.08050  1.0 3.0
   82    81    83    86   1.63200 -1.0 2.0
   82    84    90    91   0.84100 -1.0 2.0
   82    85    92    93   0.08050  1.0 3.0
   82    85    92    94   0.08050  1.0 3.0
   82    85    92    95   0.08050  1.0 3.0
   84    66    68    69   3.62500 -1.0 2.0
   84    66   -68    75   3.62500 -1.0 2.0
   84    82    85    92   1.63200 -1.0 2.0
   85    82    84    66   3.62500 -1.0 2.0
   85    82    84    90   3.62500 -1.0 2.0
   83    81    82    84   3.62500 -1.0 2.0
   83    81    82    85   3.62500 -1.0 2.0
   67    62    66    68  -0.19450  1.0 1.0
   67    62    66    68   0.63300 -1.0 2.0
   67    62    66    68   0.07450  1.0 3.0
   67    62    66    84  -0.19450  1.0 1.0
   67    62    66    84   0.63300 -1.0 2.0
   67    62    66    84   0.07450  1.0 3.0
   67    70   -77    58   3.62500 -1.0 2.0
   67    70    78    79   1.05000 -1.0 2.0
   67    70    78    80   1.05000 -1.0 2.0
   70    67    71    72   0.00000  1.0 1.0
   70    67    71    73   0.00000  1.0 1.0
   70    67    71    74   0.00000  1.0 1.0
   77    58   -61    62   3.62500 -1.0 2.0
   77    58    61    63   3.62500 -1.0 2.0
   77    70    78    79   1.05000 -1.0 2.0
   77    70    78    80   1.05000 -1.0 2.0
   78    70    77    58   3.62500 -1.0 2.0
   71    67    70    77   3.62500 -1.0 2.0
   71    67    70    78   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   63    61    62    67   3.62500 -1.0 2.0
   59    47   -50    51   3.62500 -1.0 2.0
   59    47    50    53   3.62500 -1.0 2.0
   59    57    58    61   0.04300  1.0 1.0
   59    57    58    61   0.58850 -1.0 2.0
   59    57    58    61   0.22750  1.0 3.0
   59    57    58    77   0.60800  1.0 1.0
   59    57    58    77   1.31550 -1.0 2.0
   59    57    58    77   1.01100  1.0 3.0
   53    33   -37    39  -0.51250  1.0 1.0
   53    33   -37    39  -0.88800 -1.0 2.0
   53    33   -37    39   0.08850  1.0 3.0
   53    33    37    40   0.09700  1.0 1.0
   53    33    37    40   0.15600 -1.0 2.0
   53    33    37    40  -0.50800  1.0 3.0
   53    33    38    43  -1.11000  1.0 1.0
   53    33    38    43   0.50250 -1.0 2.0
   53    33    38    43   0.47450  1.0 3.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50    51    55   3.62500 -1.0 2.0
   48    39    47    50  -0.01750  1.0 1.0
   48    39    47    50  -0.32000 -1.0 2.0
   48    39    47    50   0.00600  1.0 3.0
   48    39    47    59  -0.01750  1.0 1.0
   48    39    47    59  -0.32000 -1.0 2.0
   48    39    47    59   0.00600  1.0 3.0
   40    37    39    47   7.00000 -1.0 2.0
   40    37    39    48   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    53    50   0.65300  1.0 1.0
   38    33    53    50  -0.03850 -1.0 2.0
   38    33    53    50   0.33900  1.0 3.0
   38    33    53    54   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    39   1.10000 -1.0 2.0
   47    48    39    37   1.10000 -1.0 2.0
   50    59    47    39   4.00000 -1.0 2.0
   51    53    50    47   4.00000 -1.0 2.0
   55    52    51    50   1.10000 -1.0 2.0
   57    56    55    51   1.10000 -1.0 2.0
   58    59    57    55   4.00000 -1.0 2.0
   61    77    58    57   4.00000 -1.0 2.0
   62    63    61    58   4.00000 -1.0 2.0
   66    67    62    61   4.00000 -1.0 2.0
   68    84    66    62   4.00000 -1.0 2.0
   75    69    68    66   1.10000 -1.0 2.0
   81    76    75    68   1.10000 -1.0 2.0
   82    83    81    75   4.00000 -1.0 2.0
   84    85    82    81   4.00000 -1.0 2.0
   82    90    84    66   4.00000 -1.0 2.0
   70    71    67    62   4.00000 -1.0 2.0
   78    77    70    67   4.00000 -1.0 2.0
   79    70    78    80  10.50000 -1.0 2.0
   65    61    63    64   1.00000 -1.0 2.0
   60    47    59    57   1.00000 -1.0 2.0
   33    50    53    54  10.50000 -1.0 2.0
   42    37    40    41   1.00000 -1.0 2.0
END
