* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    163    254     478
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055    80.13849   -83.65368
    3     1 S   H    _H1_     3     1.02030    98.66047    23.94283
    4     1 S   H    _H2_     4     1.02092    36.05651   133.98081
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C13    36     1.80605    98.11764   -78.20712
   34    33 S   HC   _H14    37     1.09371   108.78090   -58.81014
   35    33 S   HC   _H15    38     1.09398   108.75928    58.80344
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C12    39     1.52359   110.55508   179.97202
   40    39 S   HC   _H7_    40     1.09479   109.40610   -53.68956
   41    39 S   CT   _C11    41     1.52135   113.30414  -179.62361
   42    41 S   HC   _H6_    42     1.09399   114.78709    36.88836
   43    41 S   CT   _C10    43     1.51598   102.11167   -86.23797
   44    43 S   HC   _H5_    44     1.09725   109.54436    81.58779
   45    41 S   OH   _O34    88     1.42748   108.76880   157.96589
   46    45 S   HO   _H16    89     0.96931   106.42962   -69.16070
   47    43 S   CO   _C9_    45     1.52380   102.07796   -37.05934
   48    47 S   HC   _H4_    46     1.09509   111.58811   -87.66861
   49    43 S   OH   _O35    86     1.41521   111.82201  -158.09426
   50    49 S   HO   _H17    87     0.97308   107.10528   -60.02988
   51    47 S   N*   _N8_    47     1.46953   108.82884   155.85101
   52    39 S   OS   _O33    85     1.44348   108.20895    63.30764
   53    51 S   CDX  _C8_    48     1.29737   126.10085   -89.92222
   54    53 S   HC   _H13    49     1.10259   116.10227     0.05935
   55    53 S   NI   _N7_    50     1.38893   128.69947  -180.00000
   56    55 S   C5A  _C7_    51     1.28643   118.74168     0.03956
   57    56 S   C5B  _C5_    52     1.46649   123.29108    -0.03426
   58    51 S   CDX  _C4_    53     1.59747   117.34808    90.10562
   59    57 S   N5B  _N5_    56     1.29772   110.12793   179.97202
   60    58 S   NI   _N4_    54     1.28747   126.42420     0.00000
   61    60 S   H    _H3_    55     1.02532   109.39182    -0.05595
   62    59 S   CRA  _C6_    57     1.40082   106.97519     0.03426
   63    62 S   HA   _H12    58     1.09821   122.51409   180.00000
   64    56 S   N*   _N6_    59     1.53326   132.88872   179.97202
   65    64 S   CO   _C14    60     1.46957   123.39943     0.00000
   66    65 S   HC   _H8_    61     1.09389   105.40812   119.96109
   67    65 S   CT   _C15    62     1.52380   108.83989  -119.94697
   68    67 S   HC   _H9_    63     1.09788   111.85229    38.85078
   69    67 S   CT   _C16    64     1.51548   102.09754   155.88915
   70    69 S   HC   _H10    65     1.09400   113.41754  -161.14393
   71    67 S   OH   _O44    83     1.41509   112.98087   -83.90270
   72    71 S   HO   _H22    84     0.97234   107.14859  -174.53402
   73    69 S   CT   _C17    66     1.52218   102.11690   -37.09800
   74    73 S   HC   _H11    67     1.09501   112.05119   149.16490
   75    69 S   OH   _O43    81     1.42717   109.61013    78.09652
   76    75 S   HO   _H21    82     0.96882   106.39288   179.98022
   77    65 S   OS   _O36    68     1.44014   116.36730     0.07662
   78    73 S   CT   _C18    69     1.52276   113.34086   -86.19537
   79    78 S   HC   _H18    70     1.09046   110.09925    59.95905
   80    78 S   HC   _H19    71     1.09096   110.08448   -60.94509
   81    78 S   OS   _O37    72     1.41654   108.70205   179.53270
   82    81 S   P2   _P1_    73     1.63684   119.27638   180.00000
   83    82 S   O2Z  _O39    74     1.51422   109.21165   180.00000
   84    82 S   O2Z  _O38    75     1.51419   107.95632   -47.19108
   85    82 S   OS   _O40    76     1.63486    99.08952    66.03972
   86    85 S   PR   _P2_    77     1.61913   131.22463  -179.96574
   87    86 S   OM   _O41    78     1.46093    97.90591   180.00000
   88    86 S   OH   _O42    79     1.61742    98.05777    80.70085
   89    88 S   HO   _H20    80     0.98167   110.36871    99.20374
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1  11   5
   3   1  10   2   7   3   7  11   8   5   5   1   1   6   2   8
  12   6  11   7  12   7   4   1   9   6   3   1   4   7   3   2
   5   6   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    58    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    57    58    60    52    49    50  
   51    53    58    52    49  
   50    51    52  
    0  
   53    54    55    56    57    58    60    61    59    52  
   53    58  
   54    55    56    57    58    60    64  
   55    56    58  
   56    57    58    59    62    64    65  
   57    58    60    59    62    63    64    65    66    67    77  
   58    60    61    59    62    63    64    65  
   60    61    59    62    64  
   62    63    64    65    60  
   61  
    0  
   63    64    65    66    67    77  
   64    65  
   65    66    67    68    69    73    77    71  
   66    67    68    69    70    73    74    77    78    75    71    72  
   67    68    69    73    77    71  
   68    69    70    73    74    77    78    75    76    71    72  
   69    70    73    77    75    71    72  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75    77  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82    83    84    85    86  
   83    84    85    86    87    88  
   84    85    86  
   85    86  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700  -0.072500   1.9050   1.6860   0.051222218  -2.220205820
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.275900   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   55   3.2800   0.1700  -0.389800   1.8540   1.6400   0.005000000   0.000000000
   56   3.5500   0.0700  -0.068200   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.375000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.219000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.2800   0.1700  -0.785000   1.8540   1.6400   0.005000000   0.000000000
   61   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   83   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   84   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   85   2.8500   0.1400  -0.825000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   87   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   88   3.1200   0.1700  -0.930500   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   360.000  1.429
   51    58   360.000  1.429
   53    54   370.000  1.091
   53    55   650.000  1.285
   55    56   440.000  1.363
   56    57   520.000  1.370
   56    64   427.000  1.381
   57    58   325.000  1.468
   57    59   410.000  1.394
   58    60   650.000  1.285
   60    61   434.000  1.010
   59    62   488.000  1.335
   62    63   367.000  1.080
   62    64   477.000  1.343
   64    65   275.000  1.479
   65    66   340.000  1.090
   65    67   250.000  1.527
   65    77   320.000  1.380
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    77   320.000  1.410
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   320.000  1.410
   81    82   230.000  1.697
   82    83   525.000  1.480
   82    84   525.000  1.480
   82    85   230.000  1.697
   85    86   325.000  1.672
   86    87   325.000  1.672
   86    88   325.000  1.672
   88    89   553.000  0.945
   75    76   553.000  0.945
   71    72   553.000  0.945
   49    50   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    70.00000  121.20000
   47    51    58    70.00000  121.20000
   51    47    48    55.00000  103.44000
   51    53    54    45.00000  112.72000
   51    53    55    80.00000  119.04400
   51    58    57    70.00000  117.00000
   51    58    60    80.00000  119.04400
   53    55    56    85.00000  107.58000
   55    53    54    45.00000  121.92500
   55    56    57    65.00000  132.24000
   55    56    64    70.00000  120.54000
   56    57    58    55.00000  126.30000
   56    57    59    70.00000  111.00000
   56    64    62    70.00000  109.80000
   56    64    65    65.00000  127.50000
   57    58    60    75.00000  114.44000
   57    59    62    70.00000  110.00000
   58    51    53    85.00000  116.68000
   58    60    61    55.00000  110.29700
   59    57    58    65.00000  123.22000
   59    62    63    35.00000  120.00000
   59    62    64    70.00000  120.00000
   62    64    65    60.00000  127.66100
   64    56    57    70.00000  106.30000
   64    62    63    35.00000  120.00000
   64    65    66    55.00000  103.44000
   64    65    67    75.00000  107.44000
   64    65    77   105.00000  106.22000
   65    67    68    45.00000  108.72000
   65    67    69    75.00000  109.43000
   65    67    71    90.00000  111.58700
   65    77    73    60.00000  109.50000
   67    65    66    45.00000  112.01100
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    50.00000  109.50000
   67    71    72    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    50.00000  109.50000
   69    73    78    58.35000  112.70000
   69    75    76    55.00000  108.50000
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    50.00000  109.50000
   77    65    66    35.00000  109.50000
   77    65    67    90.00000  108.56700
   77    73    74    35.00000  109.50000
   78    73    74    37.50000  110.70000
   78    73    77    50.00000  109.50000
   78    81    82   100.00000  120.50000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    82    83   100.00000  108.23000
   81    82    84   100.00000  108.23000
   81    82    85    45.00000  102.60000
   82    85    86    50.00000  132.62000
   84    82    83   140.00000  119.90000
   85    82    83   100.00000  108.23000
   85    82    84   100.00000  108.23000
   85    86    87    45.00000  102.60000
   85    86    88    45.00000  102.60000
   86    88    89    45.00000  108.50000
   88    86    87    35.00000   94.00000
   75    69    70    35.00000  109.50000
   75    69    73    50.00000  109.50000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.27100  1.0 1.0
   41    43    47    51  -0.01700 -1.0 2.0
   41    43    47    51  -0.48600  1.0 3.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   2.08450  1.0 1.0
   43    47    51    53  -0.39300 -1.0 2.0
   43    47    51    53   0.23400  1.0 3.0
   43    47    51    58   2.08450  1.0 1.0
   43    47    51    58  -0.39300 -1.0 2.0
   43    47    51    58   0.23400  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   1.88100 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    58    57   3.62500 -1.0 2.0
   47    51    58    60   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    58   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53    55    56   6.00000 -1.0 2.0
   51    58    60    61   6.00000 -1.0 2.0
   53    51    58    57   3.62500 -1.0 2.0
   53    51    58    60   3.62500 -1.0 2.0
   53    55   -56    57   1.25000 -1.0 2.0
   53    55    56    64   1.25000 -1.0 2.0
   54    53    55    56   4.00000 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56    57    59   3.62500 -1.0 2.0
   55    56    64    62   3.62500 -1.0 2.0
   55    56    64    65   3.62500 -1.0 2.0
   56    57   -58    51   0.30050 -1.0 2.0
   56    57   -58    51   0.16600  1.0 3.0
   56    57    58    60   1.02250 -1.0 2.0
   56    57   -59    62   2.40000 -1.0 2.0
   56    64    65    66   0.00000  1.0 1.0
   56    64    65    67   1.10250  1.0 1.0
   56    64    65    67   0.01650 -1.0 2.0
   56    64    65    67   0.39100  1.0 3.0
   56    64    65    77   0.10350  1.0 1.0
   56    64    65    77  -0.15350 -1.0 2.0
   57    56   -64    62   1.40000 -1.0 2.0
   57    56    64    65   0.81400  1.0 1.0
   57    56    64    65   1.55550 -1.0 2.0
   57    58    60    61   6.00000 -1.0 2.0
   57    59    62    63   5.00000 -1.0 2.0
   57    59   -62    64   5.00000 -1.0 2.0
   58    51    53    54   3.62500 -1.0 2.0
   58    51   -53    55   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   59    57    58    51   0.30050 -1.0 2.0
   59    57    58    51   0.16600  1.0 3.0
   59    57    58    60   1.02250 -1.0 2.0
   59    62   -64    56   2.32500 -1.0 2.0
   59    62    64    65   3.62500 -1.0 2.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   1.10250  1.0 1.0
   62    64    65    67   0.01650 -1.0 2.0
   62    64    65    67   0.39100  1.0 3.0
   62    64    65    77   0.10350  1.0 1.0
   62    64    65    77  -0.15350 -1.0 2.0
   63    62    64    56   2.32500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    56    57    58   3.62500 -1.0 2.0
   64    56   -57    59   5.37500 -1.0 2.0
   64    65    67    68   0.15000  1.0 3.0
   64    65    67    69  -0.64600  1.0 1.0
   64    65    67    69   0.58400 -1.0 2.0
   64    65    67    71   2.76900  1.0 1.0
   64    65    67    71  -0.24350 -1.0 2.0
   64    65    67    71  -0.78250  1.0 3.0
   64    65    77    73  -2.37750  1.0 1.0
   64    65    77    73  -0.08150 -1.0 2.0
   64    65    77    73   0.59000  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67   -69    73   3.97050  1.0 1.0
   65    67    69    75   0.86500  1.0 1.0
   65    67    69    75  -0.17500 -1.0 2.0
   65    67    69    75   0.20800  1.0 3.0
   65    67    71    72  -0.11600  1.0 1.0
   65    67    71    72  -0.09450 -1.0 2.0
   65    67    71    72   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    77    73   0.37050  1.0 3.0
   67    65   -77    73   0.06250  1.0 1.0
   67    65   -77    73  -0.01100 -1.0 2.0
   67    65   -77    73   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.62750  1.0 1.0
   67    69   -73    77  -0.30950 -1.0 2.0
   67    69   -73    77   0.27300  1.0 3.0
   67    69    73    78   0.56750  1.0 1.0
   67    69    73    78  -0.07550 -1.0 2.0
   67    69    73    78   0.20000  1.0 3.0
   67    69    75    76  -0.11600  1.0 1.0
   67    69    75    76  -0.09450 -1.0 2.0
   67    69    75    76   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   69    73   -77    65   0.06250  1.0 1.0
   69    73   -77    65  -0.01100 -1.0 2.0
   69    73   -77    65   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81   0.62750  1.0 1.0
   69    73    78    81  -0.30950 -1.0 2.0
   69    73    78    81   0.27300  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76  -0.11600  1.0 1.0
   73    69    75    76  -0.09450 -1.0 2.0
   73    69    75    76   0.21250  1.0 3.0
   73    78    81    82  -2.65550  1.0 1.0
   73    78    81    82  -0.22350 -1.0 2.0
   73    78    81    82   0.24150  1.0 3.0
   74    73    77    65   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    65    67    68   0.23400  1.0 3.0
   77    65   -67    69   0.62750  1.0 1.0
   77    65   -67    69  -0.30950 -1.0 2.0
   77    65   -67    69   0.27300  1.0 3.0
   77    65    67    71   3.69350  1.0 1.0
   77    65    67    71  -1.82950 -1.0 2.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.11900  1.0 1.0
   77    73    78    81  -1.16350 -1.0 2.0
   77    73    78    81  -0.34150  1.0 3.0
   78    73    77    65   0.06250  1.0 1.0
   78    73    77    65  -0.01100 -1.0 2.0
   78    73    77    65   0.28050  1.0 3.0
   78    81    82    83   0.00000  1.0 1.0
   78    81    82    84   0.00000  1.0 1.0
   78    81    82    85   0.05050  1.0 1.0
   78    81    82    85  -1.30700 -1.0 2.0
   78    81    82    85   0.91550  1.0 3.0
   79    78    81    82   0.03000  1.0 3.0
   80    78    81    82   0.03000  1.0 3.0
   81    82    85    86   0.15000  1.0 3.0
   82    85    86    87   0.15000  1.0 3.0
   82    85    86    88   0.15000  1.0 3.0
   83    82    85    86   0.50000  1.0 3.0
   84    82    85    86   0.50000  1.0 3.0
   85    86    88    89   0.00000  1.0 1.0
   87    86    88    89   0.00000  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   3.69350  1.0 1.0
   75    69    73    77  -1.82950 -1.0 2.0
   75    69    73    78   0.86500  1.0 1.0
   75    69    73    78  -0.17500 -1.0 2.0
   75    69    73    78   0.20800  1.0 3.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   0.86500  1.0 1.0
   71    67    69    73  -0.17500 -1.0 2.0
   71    67    69    73   0.20800  1.0 3.0
   71    67    69    75   3.75450  1.0 1.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53  -0.28000  1.0 1.0
   52    47    51    53  -1.16550 -1.0 2.0
   52    47    51    58  -0.28000  1.0 1.0
   52    47    51    58  -1.16550 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   58    53    51    47   1.00000 -1.0 2.0
   51    54    53    55  10.50000 -1.0 2.0
   57    64    56    55   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   51    57    58    60  10.50000 -1.0 2.0
   64    63    62    59   1.10000 -1.0 2.0
   62    65    64    56   4.00000 -1.0 2.0
END
