* LIGAND DATABASE FILE (OPLS2005)
*
001      95    98    167    253     480
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02098    96.68230   -56.92336
    3     1 S   H    _H1_     3     1.02028    82.92321    51.16787
    4     1 S   H    _H2_     4     1.02118    34.61502  -170.43651
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.84020    97.85616  -178.14501
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CO4  _C21    37     1.52286   106.51843   -60.03692
   38    37 S   O    _O3_    38     1.22738   122.75578    95.81526
   39    33 S   CT1  _C23    86     1.53331   110.70395   177.79780
   40    39 S   HC   _H8_    87     1.09921   111.00144   -47.40498
   41    33 S   OS   _O8_    91     1.41990   109.18183    57.16813
   42    37 S   CA   _C12    39     1.47881   117.17691   -82.54989
   43    39 S   NTH2 _N7_    88     1.46811   112.59152  -169.03782
   44    43 S   H    _H23    89     0.99479   117.82159  -153.56281
   45    43 S   H    _H24    90     0.99448   117.83181    39.77500
   46    41 S   CT   _C28    92     1.42012   111.41232    64.15841
   47    46 S   HC   _H18    93     1.09259   109.50839   179.93147
   48    46 S   HC   _H19    94     1.09302   109.48965    59.24279
   49    46 S   HC   _H20    95     1.09263   108.99945   -60.42436
   50    42 S   CA   _C7_    40     1.39409   120.65239   165.66458
   51    50 S   HA   _H5_    41     1.08583   121.48779     2.11831
   52    50 S   CA   _C9_    42     1.39147   119.49590  -178.49897
   53    52 S   HA   _H7_    43     1.08507   120.09959  -179.66312
   54    52 S   CA   _C18    44     1.38515   118.06834    -0.00000
   55    54 S   CA   _C19    45     1.44364   120.95312   179.50822
   56    54 S   NB   _N5_    82     1.35079   124.08761    -0.32325
   57    55 S   NB   _N4_    46     1.35246   113.67311    60.01475
   58    42 S   CA   _C20    83     1.38866   121.32414   -13.31442
   59    57 S   CA   _C4_    47     1.35199   116.32934   179.97202
   60    58 S   CO4  _C22    84     1.47772   121.36129    -3.67035
   61    60 S   O    _O4_    85     1.22824   119.65505   176.66975
   62    59 S   CA   _C13    48     1.38513   124.09358     0.02798
   63    59 S   C    _C5_    78     1.45624   114.56922   179.98022
   64    63 S   O    _O1_    79     1.23397   125.39234  -149.98368
   65    62 S   CA   _C11    49     1.39056   117.90897     0.00000
   66    62 S   CT   _C25    74     1.49444   120.53207   180.00000
   67    66 S   HC   _H9_    75     1.09610   110.22073   -90.02798
   68    66 S   HC   _H10    76     1.09581   111.20522    30.53595
   69    66 S   HC   _H11    77     1.09703   111.08921   149.53721
   70    63 S   OH   _O33    80     1.36122   112.41144    29.96816
   71    70 S   HO   _H3_    81     0.98047   113.07363  -180.00000
   72    65 S   CA   _C10    50     1.45290   119.93686  -179.98022
   73    55 S   CA   _C14    70     1.38549   122.27915  -119.97355
   74    72 S   CA   _C6_    51     1.39494   119.12319    89.95793
   75    74 S   HA   _H4_    52     1.08778   120.89303     0.13270
   76    73 S   NE   _N6_    71     1.41097   120.92939    -0.00000
   77    76 S   H    _H21    72     0.99951   119.16676   176.80016
   78    76 S   H    _H22    73     1.00029   119.09749     3.17101
   79    74 S   CA   _C8_    53     1.39480   120.00979  -179.95577
   80    79 S   HA   _H6_    54     1.08644   119.55967  -179.89165
   81    79 S   CA   _C15    55     1.39387   120.02358     0.03956
   82    81 S   CA   _C17    56     1.39576   120.01278    -0.02798
   83    81 S   OS   _O6_    65     1.36211   119.44890  -179.98022
   84    72 S   CA   _C16    57     1.39471   120.91551   -89.98185
   85    82 S   OS   _O7_    60     1.36345   119.92734   179.92087
   86    83 S   CT   _C26    66     1.42656   116.99781    -0.06256
   87    86 S   HC   _H12    67     1.09244   109.56207   179.96574
   88    86 S   HC   _H13    68     1.09327   109.48210    59.19726
   89    86 S   HC   _H14    69     1.09196   108.99361   -60.35367
   90    84 S   OH   _O5_    58     1.36641   120.62081     0.09065
   91    90 S   HO   _H25    59     0.96891   109.98290    -0.02798
   92    85 S   CT   _C27    61     1.42550   116.97382    90.03431
   93    92 S   HC   _H15    62     1.09213   109.51802   179.98022
   94    92 S   HC   _H16    63     1.09275   109.51645    59.16671
   95    92 S   HC   _H17    64     1.09278   108.99192   -60.40726
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  13   5  11   7   7   9   5   2   1   3   2   1
   1   8   4   7   3   9  12   5   9   2  12   1   1  13   5   2
  15   5   2   1   1   1   1  12   5   8   4   2   1   1   7   3
  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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    60    39    40    43    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    50    58    60    61    39    40    43    44    45    41    46    47    48    49  
   35    36  
   36  
    0  
   38    42    50    51    52    56    58    60    39    40    43    41    46  
   42    50    58    39    41  
   40    43    44    45    41    46    42    56    58    60    61  
   43    44    45    41    58    60    61  
   46    47    48    49    42    43    60  
   50    51    52    53    54    56    58    60    61  
   44    45    58    60    61  
   45    60  
   60  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    58    60  
   52    53    54    58  
   53    54    55    57    73    56    58  
   54    55    56  
   55    57    59    65    73    76    56    58    60  
   57    59    62    65    72    73    76    77    78    63    56    58  
   58    60    61    57    73  
   59    62    65    73    76    66    63    64    70  
   60    61  
   62    65    72    73    66    67    68    69    63    64    70    71  
   61  
    0  
   65    72    74    84    73    76    66    67    68    69    63    64    70  
   64    70    71    65    66  
   70    71  
   72    74    75    79    82    84    90    73    76    77    78    66    67    68    69  
   67    68    69    72    73  
   68    69  
   69  
    0  
   71  
    0  
   74    75    79    80    81    82    84    90    91    85    73    76  
   76    77    78    74    84  
   75    79    80    81    82    84    90    83  
   79    80    81    84  
   77    78  
   78  
    0  
   80    81    82    84    85    83    86  
   81    82    83  
   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   0.396900   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   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5500   0.0700  -0.407000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.485000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   57   3.2500   0.1700  -0.678000   1.8000   1.6000   0.001000000  -0.511443539
   58   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.653700   2.5000   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.351300   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   65   3.5500   0.0700   0.292000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.017000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.092000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  1.522
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    50   469.000  1.400
   42    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   375.000  1.464
   54    56   483.000  1.339
   55    57   483.000  1.339
   55    73   469.000  1.400
   57    59   483.000  1.339
   59    62   469.000  1.400
   59    63   400.000  1.490
   62    65   469.000  1.400
   62    66   317.000  1.510
   65    72   375.000  1.464
   65    73   469.000  1.400
   72    74   469.000  1.400
   72    84   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    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
   73    76   481.000  1.340
   76    77   434.000  1.010
   76    78   434.000  1.010
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   63    64   570.000  1.229
   63    70   450.000  1.364
   70    71   553.000  0.945
   56    58   483.000  1.339
   58    60   310.000  1.470
   60    61   570.000  1.229
   60    39   255.000  1.522
   39    40   340.000  1.090
   39    43   300.000  1.468
   43    44   495.000  1.019
   43    45   495.000  1.019
   41    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  110.18000
   29    33    39    75.00000  108.68000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    39    60    70.00000  110.61500
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  112.76400
   33    41    46    60.00000  109.50000
   37    42    50    60.00000  119.52600
   37    42    58    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    50    51    35.00000  120.00000
   42    50    52    63.00000  120.00000
   42    58    56    70.00000  124.00000
   42    58    60    60.00000  119.52600
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    60.00000  122.76000
   52    54    56    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    57    70.00000  116.69200
   54    55    73    60.00000  122.76000
   54    56    58    70.00000  117.00000
   55    57    59    70.00000  117.00000
   55    73    65    63.00000  120.00000
   55    73    76    70.00000  120.10000
   57    59    62    70.00000  124.00000
   57    59    63    75.00000  117.56100
   59    62    65    63.00000  120.00000
   59    62    66    70.00000  120.00000
   59    63    64    80.00000  120.40000
   59    63    70    85.00000  111.88000
   62    65    72    60.00000  122.76000
   62    65    73    63.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   65    72    74    60.00000  122.76000
   65    72    84    60.00000  122.76000
   65    73    76    70.00000  120.10000
   72    74    75    35.00000  120.00000
   72    74    79    63.00000  120.00000
   72    84    82    63.00000  120.00000
   72    84    90    70.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    81    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    83    70.00000  120.00000
   81    79    80    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    72    74    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
   73    55    57    70.00000  124.00000
   73    65    72    60.00000  122.76000
   73    76    77    35.00000  113.50000
   73    76    78    35.00000  113.50000
   78    76    77    35.00000  109.00000
   66    62    65    70.00000  120.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   63    59    62    85.00000  120.00000
   63    70    71    35.00000  113.00000
   70    63    64   100.00000  123.32000
   56    54    55    70.00000  116.69200
   56    58    60    75.00000  117.56100
   58    42    50    63.00000  120.00000
   58    60    61    75.00000  123.78400
   58    60    39    60.00000  117.08000
   60    39    40    45.00000  110.09800
   60    39    43    75.00000  112.91400
   39    33    37    63.00000  111.10000
   39    60    61    75.00000  123.42600
   39    43    44    50.00000  110.30900
   39    43    45    50.00000  110.30900
   43    39    40    50.00000  110.79000
   45    43    44    40.00000  106.77200
   41    33    37    90.00000  108.74100
   41    33    39    50.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    39    60  -2.17200  1.0 1.0
   29    33    39    60  -0.85700 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    41    46   0.14700  1.0 1.0
   29    33    41    46  -1.16150 -1.0 2.0
   29    33    41    46   0.48700  1.0 3.0
   33    37    42    50   2.26350  1.0 1.0
   33    37    42    50   0.76750 -1.0 2.0
   33    37    42    50   0.22500  1.0 3.0
   33    37    42    58   2.26350  1.0 1.0
   33    37    42    58   0.76750 -1.0 2.0
   33    37    42    58   0.22500  1.0 3.0
   33    39    43    44   0.21650  1.0 1.0
   33    39    43    44   0.26250 -1.0 2.0
   33    39    43    44   0.12450  1.0 3.0
   33    39    43    45   0.21650  1.0 1.0
   33    39    43    45   0.26250 -1.0 2.0
   33    39    43    45   0.12450  1.0 3.0
   33    41    46    47   0.37050  1.0 3.0
   33    41    46    48   0.37050  1.0 3.0
   33    41    46    49   0.37050  1.0 3.0
   37    33    39    60  -0.84850  1.0 1.0
   37    33    39    60  -0.22800 -1.0 2.0
   37    33    39    60   0.29250  1.0 3.0
   37    33    39    40  -0.03800  1.0 3.0
   37    33    39    43  -3.56550  1.0 1.0
   37    33    39    43  -0.67500 -1.0 2.0
   37    33    39    43   1.11300  1.0 3.0
   37    33    41    46  -1.11000  1.0 1.0
   37    33    41    46   0.50250 -1.0 2.0
   37    33    41    46   0.47450  1.0 3.0
   37    42    50    51   3.62500 -1.0 2.0
   37    42    50    52   3.62500 -1.0 2.0
   37    42    58    56   3.62500 -1.0 2.0
   37    42   -58    60   3.62500 -1.0 2.0
   38    37    42    50   1.05000 -1.0 2.0
   38    37    42    58   1.05000 -1.0 2.0
   42    50    52    53   3.62500 -1.0 2.0
   42    50    52    54   3.62500 -1.0 2.0
   42    58    60    61   1.05000 -1.0 2.0
   42    58    60    39   2.26350  1.0 1.0
   42    58    60    39   0.76750 -1.0 2.0
   42    58    60    39   0.22500  1.0 3.0
   50    42    58    56   3.62500 -1.0 2.0
   50    42    58    60   3.62500 -1.0 2.0
   50    52    54    55   3.62500 -1.0 2.0
   50    52   -54    56   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    57   0.04300  1.0 1.0
   52    54    55    57   0.58850 -1.0 2.0
   52    54    55    57   0.22750  1.0 3.0
   52    54    55    73  -0.19450  1.0 1.0
   52    54    55    73   0.63300 -1.0 2.0
   52    54    55    73   0.07450  1.0 3.0
   52    54    56    58   3.62500 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    55    57    59   3.62500 -1.0 2.0
   54    55    73    65   3.62500 -1.0 2.0
   54    55    73    76   3.62500 -1.0 2.0
   54    56   -58    42   3.62500 -1.0 2.0
   54    56    58    60   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   55    57    59    62   3.62500 -1.0 2.0
   55    57    59    63   3.62500 -1.0 2.0
   55    73    76    77   1.00000 -1.0 2.0
   55    73    76    78   1.00000 -1.0 2.0
   57    55    73    65   3.62500 -1.0 2.0
   57    55    73    76   3.62500 -1.0 2.0
   57    59   -62    65   3.62500 -1.0 2.0
   57    59    62    66   3.62500 -1.0 2.0
   57    59    63    64   1.05000 -1.0 2.0
   57    59    63    70   0.78600  1.0 1.0
   57    59    63    70  -0.32500 -1.0 2.0
   59    62    65    72   3.62500 -1.0 2.0
   59    62    65    73   3.62500 -1.0 2.0
   59    62    66    67   0.00000  1.0 1.0
   59    62    66    68   0.00000  1.0 1.0
   59    62    66    69   0.00000  1.0 1.0
   59    63    70    71   2.25750  1.0 1.0
   59    63    70    71  -1.92700 -1.0 2.0
   62    59    63    64   1.05000 -1.0 2.0
   62    59    63    70   0.36000 -1.0 2.0
   62    65    72    74  -0.19450  1.0 1.0
   62    65    72    74   0.63300 -1.0 2.0
   62    65    72    74   0.07450  1.0 3.0
   62    65    72    84  -0.19450  1.0 1.0
   62    65    72    84   0.63300 -1.0 2.0
   62    65    72    84   0.07450  1.0 3.0
   62    65   -73    55   3.62500 -1.0 2.0
   62    65    73    76   3.62500 -1.0 2.0
   65    62    66    67   0.00000  1.0 1.0
   65    62    66    68   0.00000  1.0 1.0
   65    62    66    69   0.00000  1.0 1.0
   65    72    74    75   3.62500 -1.0 2.0
   65    72    74    79   3.62500 -1.0 2.0
   65    72    84    82   3.62500 -1.0 2.0
   65    72    84    90   3.62500 -1.0 2.0
   65    73    76    77   1.00000 -1.0 2.0
   65    73    76    78   1.00000 -1.0 2.0
   72    65    73    55   3.62500 -1.0 2.0
   72    65    73    76   3.62500 -1.0 2.0
   72    74    79    80   3.62500 -1.0 2.0
   72    74    79    81   3.62500 -1.0 2.0
   72    84    90    91   0.84100 -1.0 2.0
   74    72    84    82   3.62500 -1.0 2.0
   74    72    84    90   3.62500 -1.0 2.0
   74    79   -81    82   3.62500 -1.0 2.0
   74    79    81    83   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    81   3.62500 -1.0 2.0
   79    81    82    84   3.62500 -1.0 2.0
   79    81    82    85   3.62500 -1.0 2.0
   79    81    83    86   1.63200 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    82   -84    72   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    72    74    75   3.62500 -1.0 2.0
   84    72   -74    79   3.62500 -1.0 2.0
   84    82    85    92   1.63200 -1.0 2.0
   85    82    84    72   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
   73    55   -57    59   3.62500 -1.0 2.0
   73    65    72    74  -0.19450  1.0 1.0
   73    65    72    74   0.63300 -1.0 2.0
   73    65    72    74   0.07450  1.0 3.0
   73    65    72    84  -0.19450  1.0 1.0
   73    65    72    84   0.63300 -1.0 2.0
   73    65    72    84   0.07450  1.0 3.0
   66    62    65    72   3.62500 -1.0 2.0
   66    62    65    73   3.62500 -1.0 2.0
   63    59    62    65   3.62500 -1.0 2.0
   63    59    62    66   3.62500 -1.0 2.0
   64    63    70    71   0.92200  1.0 1.0
   64    63    70    71   3.74100 -1.0 2.0
   56    54    55    57   0.60800  1.0 1.0
   56    54    55    57   1.31550 -1.0 2.0
   56    54    55    57   1.01100  1.0 3.0
   56    54    55    73   0.04300  1.0 1.0
   56    54    55    73   0.58850 -1.0 2.0
   56    54    55    73   0.22750  1.0 3.0
   56    58    60    61   1.05000 -1.0 2.0
   56    58    60    39   0.56600 -1.0 2.0
   58    42    50    51   3.62500 -1.0 2.0
   58    42   -50    52   3.62500 -1.0 2.0
   58    60   -39    33   0.05850 -1.0 2.0
   58    60   -39    33   0.17250  1.0 3.0
   58    60    39    40   0.00000  1.0 1.0
   58    60    39    43   0.65300  1.0 1.0
   58    60    39    43  -0.03850 -1.0 2.0
   58    60    39    43   0.33900  1.0 3.0
   60    39    43    44   0.21900  1.0 1.0
   60    39    43    44  -0.24900 -1.0 2.0
   60    39    43    44   0.15200  1.0 3.0
   60    39    43    45   0.21900  1.0 1.0
   60    39    43    45  -0.24900 -1.0 2.0
   60    39    43    45   0.15200  1.0 3.0
   61    60    39    33   0.00000  1.0 1.0
   61    60    39    40   0.00000  1.0 1.0
   61    60    39    43   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    42   0.05850 -1.0 2.0
   39    33   -37    42   0.17250  1.0 3.0
   39    33    41    46   0.06250  1.0 1.0
   39    33    41    46  -0.01100 -1.0 2.0
   39    33    41    46   0.28050  1.0 3.0
   40    39    43    44   0.20000  1.0 3.0
   40    39    43    45   0.20000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    42   0.65300  1.0 1.0
   41    33    37    42  -0.03850 -1.0 2.0
   41    33    37    42   0.33900  1.0 3.0
   41    33    39    60  -0.09450  1.0 1.0
   41    33    39    60  -1.12950 -1.0 2.0
   41    33    39    60   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    43   3.18800  1.0 1.0
   41    33    39    43  -1.12350 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   50    58    42    37   4.00000 -1.0 2.0
   52    51    50    42   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    56    54    52   4.00000 -1.0 2.0
   57    73    55    54   4.00000 -1.0 2.0
   63    62    59    57   4.00000 -1.0 2.0
   65    66    62    59   4.00000 -1.0 2.0
   72    73    65    62   4.00000 -1.0 2.0
   74    84    72    65   4.00000 -1.0 2.0
   79    75    74    72   1.10000 -1.0 2.0
   81    80    79    74   1.10000 -1.0 2.0
   82    83    81    79   4.00000 -1.0 2.0
   84    85    82    81   4.00000 -1.0 2.0
   82    90    84    72   4.00000 -1.0 2.0
   65    76    73    55   4.00000 -1.0 2.0
   78    73    76    77   1.00000 -1.0 2.0
   59    70    63    64  10.50000 -1.0 2.0
   56    60    58    42   4.00000 -1.0 2.0
   58    39    60    61  10.50000 -1.0 2.0
END
