* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    169    270     503
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02068    82.40002    51.80337
    3     1 S   H    _H1_     3     1.02110    34.86238  -169.01101
    4     1 S   H    _H2_     4     1.02133    97.01128   -56.25587
    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     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   CO   _C18    36     1.84632   100.80216   159.97251
   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   CT   _C19    37     1.52710   108.14557   -79.97973
   38    37 S   HC   _H14    38     1.09816   107.87141    61.91787
   39    33 S   OH   _O36    65     1.43269   110.63188   165.81869
   40    39 S   HO   _H31    66     0.97072   107.07286    56.35365
   41    33 S   OS   _O35    67     1.44134   113.75007    36.89608
   42    37 S   CT   _C20    39     1.53433   110.66753  -179.70392
   43    42 S   HC   _H15    40     1.09756   109.86778    56.70186
   44    42 S   HC   _H16    41     1.09602   109.94291   -60.61503
   45    41 S   CA   _C17    68     1.36594   122.13463    91.64173
   46    42 S   CT   _C21    42     1.52748   111.67560   177.98074
   47    46 S   HC   _H17    43     1.09789   109.18613    66.50754
   48    46 S   HC   _H18    44     1.09628   109.19332  -177.05124
   49    45 S   CA   _C16    69     1.39459   119.16066   -30.10133
   50    49 S   HA   _H13    70     1.08705   120.33887     0.15066
   51    46 S   CT   _C22    45     1.53469   111.68547   -55.27609
   52    51 S   HC   _H19    46     1.09782   108.34762   -63.99531
   53    49 S   CA   _C15    71     1.39427   120.00048  -179.88809
   54    53 S   HA   _H12    72     1.08640   120.00463  -179.98022
   55    51 S   CT   _C23    47     1.53334   110.78034    54.79513
   56    55 S   HC   _H20    48     1.09659   109.85219  -176.15468
   57    55 S   HC   _H21    49     1.09804   109.95361    66.64390
   58    51 S   CT   _C25    53     1.52805   110.66134   177.92397
   59    58 S   HC   _H24    54     1.08191   108.65509    39.98025
   60    58 S   HC   _H25    55     1.08167   108.97196   -80.62768
   61    53 S   CA   _C14    73     1.39433   120.01062     0.07913
   62    61 S   HA   _H11    74     1.08618   120.01915   179.96044
   63    37 S   CT   _C24    50     1.53340   110.69603   -56.46232
   64    63 S   HC   _H22    51     1.09726   109.94796    60.67986
   65    63 S   HC   _H23    52     1.09789   109.93845   -56.60509
   66    58 S   NG   _N4_    56     1.42346   109.76063   159.60207
   67    66 S   H    _H26    57     1.03661   121.40897     0.06853
   68    61 S   CA   _C13    75     1.39505   120.01156    -0.04423
   69    68 S   HA   _H10    76     1.08719   119.37163  -180.00000
   70    66 S   CG   _C26    58     1.41694   123.64405  -179.98022
   71    45 S   CA   _C12    77     1.39444   120.81115   150.07485
   72    70 S   NG   _N6_    59     1.39070   120.34138   179.97202
   73    72 S   H    _H29    60     1.01741   120.88556    -0.09487
   74    72 S   H    _H30    61     1.01619   121.94798  -179.89347
   75    70 S   NG   _N5_    62     1.39073   120.46745     0.03426
   76    75 S   H    _H27    63     1.01749   121.20541   179.96044
   77    75 S   H    _H28    64     1.01759   121.21136    -0.04423
   78    71 S   CO4  _C11    78     1.45641   120.96534    -0.16313
   79    78 S   O    _O34    79     1.23651   124.38779  -119.92774
   80    78 S   OS   _O33    80     1.36717   111.47054    59.92899
   81    80 S   CT   _C10    81     1.43212   116.80357  -179.89165
   82    81 S   HC   _H8_    82     1.09493   109.01354    28.71289
   83    81 S   HC   _H9_    83     1.09526   109.12040   -88.89503
   84    81 S   CA   _C7_    84     1.50032   109.07926   150.01648
   85    84 S   CA   _C6_    85     1.39452   120.04000   -89.96710
   86    85 S   HA   _H5_    86     1.08721   120.46134    -0.03426
   87    85 S   CA   _C5_    87     1.39422   120.01113  -179.97202
   88    87 S   HA   _H4_    88     1.08637   120.01081   179.96044
   89    87 S   CA   _C4_    89     1.39488   120.03326    -0.09691
   90    89 S   HA   _H3_    90     1.08615   120.03349   179.94405
   91    89 S   CA   _C9_    91     1.39525   119.97323     0.12195
   92    91 S   HA   _H7_    92     1.08609   120.02222   179.89913
   93    84 S   CA   _C8_    93     1.39499   119.95892    89.99590
   94    93 S   HA   _H6_    94     1.08696   120.54563     0.00000
  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  18  10   5   1   9  12   6   5  11  12   5   4
   8   4  13   8   6   3   9   5   4   8   4   3   5   3   2   1
   1   8   3   5   2   6   4   5   2   1   2   1   1   6   2   6
   9   4   3   9   8   4   6   3   5   3   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    63    39    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    55    63    64    65    39    40    41    45    49    71  
   35    36  
   36  
    0  
   38    42    43    44    46    47    48    51    55    56    57    63    64    65    39    40    41    45  
   42    43    44    46    55    63    64    65    39    41  
   40    41    45    42    63  
   41  
   45    49    50    53    68    71    78    42    63  
   43    44    46    47    48    51    52    55    63    64    65    58  
   44    46    47    48    51    63  
   46    47    48    51    63  
   49    50    53    54    61    68    69    71    78    79    80  
   47    48    51    52    55    56    57    63    58    59    60    66  
   48    51    52    55    58  
   51    52    55    58  
   50    53    54    61    62    68    71    78  
   53    54    61    71  
   52    55    56    57    63    64    65    58    59    60    66    67    70  
   55    56    57    63    58    59    60    66  
   54    61    62    68    69    71  
   61    62    68  
   56    57    63    64    65    58    59    60    66  
   57    63    64    65    58  
   63    64    65    58  
   59    60    66    67    70    72    75    63  
   60    66    67    70  
   66    67    70  
   62    68    69    71    78  
   68    69    71  
   64    65  
   65  
    0  
   67    70    72    73    74    75    76    77  
   70    72    75  
   69    71    78    79    80  
   71    78  
   72    73    74    75    76    77  
   78    79    80    81  
   73    74    75    76    77  
   74    75  
   75  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81  
   81    82    83    84    85    93  
   82    83    84    85    86    87    91    93    94  
   83    84    85    93  
   84    85    93  
   85    86    87    88    89    91    92    93    94  
   86    87    88    89    90    91    93    94  
   87    88    89    93  
   88    89    90    91    92    93  
   89    90    91  
   90    91    92    93    94  
   91    92    93  
   92    93    94  
   93    94  
   94  
    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  -0.175000   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   0.372200   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   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   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   76   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   250.000  1.527
   33    39   380.000  1.407
   33    41   320.000  1.380
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    63   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   337.000  1.463
   66    67   434.000  1.010
   66    70   481.000  1.340
   70    72   481.000  1.340
   70    75   481.000  1.340
   72    73   434.000  1.010
   72    74   434.000  1.010
   75    76   434.000  1.010
   75    77   434.000  1.010
   39    40   553.000  0.945
   41    45   450.000  1.364
   45    49   469.000  1.400
   45    71   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    61   469.000  1.400
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    78   310.000  1.470
   78    79   570.000  1.229
   78    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.510
   84    85   469.000  1.400
   84    93   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
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  111.63000
   29    33    39    85.00000  114.68000
   29    33    41    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    42    75.00000  109.43000
   33    37    63    75.00000  109.43000
   33    39    40    70.00000  107.92000
   33    41    45   100.00000  112.36700
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    63    55    58.35000  112.70000
   37    63    64    37.50000  110.70000
   37    63    65    37.50000  110.70000
   42    37    38    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    55    58.35000  112.70000
   46    51    58    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    63    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    66    80.00000  111.20000
   55    51    52    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   57    55    56    33.00000  107.80000
   63    37    38    37.50000  110.70000
   63    37    42    58.35000  112.70000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   65    63    64    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    66    67    35.00000  118.40000
   58    66    70    50.00000  123.20000
   60    58    59    33.00000  107.80000
   66    58    59    35.00000  109.50000
   66    58    60    35.00000  109.50000
   66    70    72    70.00000  120.00000
   66    70    75    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    35.00000  120.00000
   70    75    76    35.00000  120.00000
   70    75    77    35.00000  120.00000
   74    72    73    35.00000  120.00000
   75    70    72    70.00000  120.00000
   77    75    76    35.00000  120.00000
   39    33    37    90.00000  110.19100
   41    33    37    90.00000  108.56700
   41    33    39   110.00000  112.08000
   41    45    49    70.00000  120.00000
   41    45    71    70.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   45    71    68    63.00000  120.00000
   45    71    78    60.00000  119.52600
   49    53    54    35.00000  120.00000
   49    53    61    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    61    62    35.00000  120.00000
   53    61    68    63.00000  120.00000
   61    53    54    35.00000  120.00000
   61    68    69    35.00000  120.00000
   61    68    71    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    71    78    60.00000  119.52600
   71    45    49    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    78    79    75.00000  123.78400
   71    78    80    81.00000  111.40000
   78    80    81    83.00000  116.90000
   80    78    79    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    85.00000  111.85700
   81    84    85    70.00000  120.00000
   81    84    93    70.00000  120.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   84    85    86    35.00000  120.00000
   84    85    87    63.00000  120.00000
   84    93    91    63.00000  120.00000
   84    93    94    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   89    91    92    35.00000  120.00000
   89    91    93    63.00000  120.00000
   91    89    90    35.00000  120.00000
   91    93    94    35.00000  120.00000
   93    84    85    63.00000  120.00000
   93    91    92    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    63   0.44750  1.0 1.0
   29    33    37    63  -0.17800 -1.0 2.0
   29    33    37    63   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   29    33    41    45   0.14700  1.0 1.0
   29    33    41    45  -1.16150 -1.0 2.0
   29    33    41    45   0.48700  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37    42    46   3.97050  1.0 1.0
   33    37    63    55   3.97050  1.0 1.0
   33    37    63    64   0.15000  1.0 3.0
   33    37    63    65   0.15000  1.0 3.0
   33    41    45    49   1.63200 -1.0 2.0
   33    41    45    71   1.63200 -1.0 2.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    33    41    45  -0.32850  1.0 1.0
   37    33    41    45  -0.35800 -1.0 2.0
   37    33    41    45   0.33950  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42    46    51   0.56750  1.0 1.0
   37    42    46    51  -0.07550 -1.0 2.0
   37    42    46    51   0.20000  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    63    55   0.15000  1.0 3.0
   38    37    63    64   0.15000  1.0 3.0
   38    37    63    65   0.15000  1.0 3.0
   42    37    63    55   0.56750  1.0 1.0
   42    37    63    55  -0.07550 -1.0 2.0
   42    37    63    55   0.20000  1.0 3.0
   42    37    63    64   0.15000  1.0 3.0
   42    37    63    65   0.15000  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46   -51    55   0.56750  1.0 1.0
   42    46   -51    55  -0.07550 -1.0 2.0
   42    46   -51    55   0.20000  1.0 3.0
   42    46    51    58   0.56750  1.0 1.0
   42    46    51    58  -0.07550 -1.0 2.0
   42    46    51    58   0.20000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    51   0.15000  1.0 3.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    48   0.15000  1.0 3.0
   44    42    46    51   0.15000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    63   0.56750  1.0 1.0
   46    51    55    63  -0.07550 -1.0 2.0
   46    51    55    63   0.20000  1.0 3.0
   46    51    58    59   0.15000  1.0 3.0
   46    51    58    60   0.15000  1.0 3.0
   46    51    58    66   1.34550  1.0 1.0
   46    51    58    66  -0.31050 -1.0 2.0
   46    51    58    66   0.95500  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   47    46    51    58   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   48    46    51    58   0.15000  1.0 3.0
   51    55   -63    37   0.56750  1.0 1.0
   51    55   -63    37  -0.07550 -1.0 2.0
   51    55   -63    37   0.20000  1.0 3.0
   51    55    63    64   0.15000  1.0 3.0
   51    55    63    65   0.15000  1.0 3.0
   51    58    66    67  -0.09500  1.0 1.0
   51    58    66    67  -0.20850 -1.0 2.0
   51    58    66    67   0.20900  1.0 3.0
   51    58    66    70   0.25550 -1.0 2.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    63   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    66  -0.29100  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    60   0.15000  1.0 3.0
   55    51    58    66   1.34550  1.0 1.0
   55    51    58    66  -0.31050 -1.0 2.0
   55    51    58    66   0.95500  1.0 3.0
   56    55    63    37   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   57    55    63    37   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   63    37    42    43   0.15000  1.0 3.0
   63    37    42    44   0.15000  1.0 3.0
   63    37   -42    46   0.56750  1.0 1.0
   63    37   -42    46  -0.07550 -1.0 2.0
   63    37   -42    46   0.20000  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    63   0.56750  1.0 1.0
   58    51    55    63  -0.07550 -1.0 2.0
   58    51    55    63   0.20000  1.0 3.0
   58    66    70    72   3.96800 -1.0 2.0
   58    66    70    75   3.96800 -1.0 2.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    70   0.08850  1.0 3.0
   60    58    66    67   0.00000  1.0 1.0
   60    58    66    70   0.08850  1.0 3.0
   66    70    72    73   1.50000 -1.0 2.0
   66    70    72    74   1.50000 -1.0 2.0
   66    70    75    76   1.50000 -1.0 2.0
   66    70    75    77   1.50000 -1.0 2.0
   67    66    70    72   1.50000 -1.0 2.0
   67    66    70    75   1.50000 -1.0 2.0
   72    70    75    76   1.50000 -1.0 2.0
   72    70    75    77   1.50000 -1.0 2.0
   75    70    72    73   1.50000 -1.0 2.0
   75    70    72    74   1.50000 -1.0 2.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    42   0.86500  1.0 1.0
   39    33    37    42  -0.17500 -1.0 2.0
   39    33    37    42   0.20800  1.0 3.0
   39    33    37    63   0.86500  1.0 1.0
   39    33    37    63  -0.17500 -1.0 2.0
   39    33    37    63   0.20800  1.0 3.0
   39    33    41    45  -0.25600  1.0 1.0
   39    33    41    45  -0.40050 -1.0 2.0
   39    33    41    45   0.34700  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    42   0.62750  1.0 1.0
   41    33    37    42  -0.30950 -1.0 2.0
   41    33    37    42   0.27300  1.0 3.0
   41    33    37    63   0.62750  1.0 1.0
   41    33    37    63  -0.30950 -1.0 2.0
   41    33    37    63   0.27300  1.0 3.0
   41    33    39    40  -0.50000  1.0 1.0
   41    33    39    40  -0.73950 -1.0 2.0
   41    33    39    40   0.17150  1.0 3.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45    49    53   3.62500 -1.0 2.0
   41    45    71    68   3.62500 -1.0 2.0
   41    45    71    78   3.62500 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49    53    61   3.62500 -1.0 2.0
   45    71    78    79   1.05000 -1.0 2.0
   45    71    78    80   0.98750 -1.0 2.0
   49    45    71    68   3.62500 -1.0 2.0
   49    45    71    78   3.62500 -1.0 2.0
   49    53    61    62   3.62500 -1.0 2.0
   49    53   -61    68   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    61   3.62500 -1.0 2.0
   53    61    68    69   3.62500 -1.0 2.0
   53    61    68    71   3.62500 -1.0 2.0
   54    53    61    62   3.62500 -1.0 2.0
   54    53    61    68   3.62500 -1.0 2.0
   61    68   -71    45   3.62500 -1.0 2.0
   61    68    71    78   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    71   3.62500 -1.0 2.0
   68    71    78    79   1.05000 -1.0 2.0
   68    71    78    80   0.98750 -1.0 2.0
   69    68    71    45   3.62500 -1.0 2.0
   69    68    71    78   3.62500 -1.0 2.0
   71    45    49    50   3.62500 -1.0 2.0
   71    45   -49    53   3.62500 -1.0 2.0
   71    78    80    81   0.59950  1.0 1.0
   71    78    80    81   3.24850 -1.0 2.0
   78    80    81    82   0.08050  1.0 3.0
   78    80    81    83   0.08050  1.0 3.0
   78    80    81    84  -0.43900 -1.0 2.0
   78    80    81    84   0.14100  1.0 3.0
   79    78    80    81   3.00000 -1.0 2.0
   80    81    84    85   0.64500  1.0 1.0
   80    81    84    85   0.14800 -1.0 2.0
   80    81    84    85   0.20650  1.0 3.0
   80    81    84    93   0.64500  1.0 1.0
   80    81    84    93   0.14800 -1.0 2.0
   80    81    84    93   0.20650  1.0 3.0
   81    84    85    86   3.62500 -1.0 2.0
   81    84    85    87   3.62500 -1.0 2.0
   81    84    93    91   3.62500 -1.0 2.0
   81    84    93    94   3.62500 -1.0 2.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    93   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   83    81    84    93   0.00000  1.0 1.0
   84    85    87    88   3.62500 -1.0 2.0
   84    85    87    89   3.62500 -1.0 2.0
   85    84    93    91   3.62500 -1.0 2.0
   85    84    93    94   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87   -89    91   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   87    89    91    92   3.62500 -1.0 2.0
   87    89    91    93   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   89    91   -93    84   3.62500 -1.0 2.0
   89    91    93    94   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   90    89    91    93   3.62500 -1.0 2.0
   92    91    93    84   3.62500 -1.0 2.0
   92    91    93    94   3.62500 -1.0 2.0
   93    84    85    86   3.62500 -1.0 2.0
   93    84   -85    87   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   67    70    66    58   1.00000 -1.0 2.0
   66    72    70    75  10.50000 -1.0 2.0
   74    70    72    73   1.00000 -1.0 2.0
   76    77    75    70   1.00000 -1.0 2.0
   49    71    45    41   4.00000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   61    54    53    49   1.10000 -1.0 2.0
   68    62    61    53   1.10000 -1.0 2.0
   71    69    68    61   1.10000 -1.0 2.0
   68    78    71    45   4.00000 -1.0 2.0
   71    80    78    79  10.50000 -1.0 2.0
   85    93    84    81   4.00000 -1.0 2.0
   87    86    85    84   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   93    92    91    89   1.10000 -1.0 2.0
   91    94    93    84   1.10000 -1.0 2.0
END
