* LIGAND DATABASE FILE (OPLS2005)
*
001      93    96    177    282     523
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093    54.18556  -118.82260
    3     1 S   H    _H1_     3     1.02133   106.61467   -17.49314
    4     1 S   H    _H2_     4     1.02058    57.92481    84.52574
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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   _C28    36     1.85013    97.28940  -178.12654
   34    33 S   HC   _H3_    37     1.11172   102.22715   -59.14179
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   C5A  _C13    38     1.46973   113.06384    59.94829
   39    33 S   CM   _C14    88     1.53252   107.66753  -172.29098
   40    39 S   HC   _H34    89     1.09267   114.88007   -72.28835
   41    38 S   C5BC _C7_    39     1.37949   132.96625    66.00413
   42    41 S   HA   _H33    40     1.08112   126.08131     0.26761
   43    39 S   CMA  _C15    90     1.35399   127.47473   109.49739
   44    43 S   OM   _O26    91     1.26516   125.33961     0.04846
   45    41 S   C5BC _C11    41     1.41793   106.16554  -179.62102
   46    43 S   OH   _O28    92     1.40555   113.20014  -179.69739
   47    46 S   HO   _H59    93     0.97334   105.34162  -179.96044
   48    45 S   C5A  _C12    42     1.37844   105.26880    -1.54548
   49    48 S   CT   _C16    43     1.47825   127.97559  -178.66426
   50    49 S   HC   _H35    44     1.09447   111.16033   137.89834
   51    49 S   HC   _H36    45     1.09654   109.21819  -103.12146
   52    38 S   OA   _O27    87     1.36196   116.09038  -114.64818
   53    49 S   CT   _C17    46     1.54177   108.91091    16.54971
   54    53 S   HC   _H37    47     1.09729   109.54860    76.58047
   55    53 S   HC   _H38    48     1.09587   109.47322  -166.40496
   56    53 S   CT   _C18    49     1.54498   112.13045   -44.25568
   57    56 S   HC   _H39    50     1.09631   109.84957  -177.84960
   58    56 S   HC   _H40    51     1.09826   108.23646   -61.99736
   59    45 S   CT   _C21    52     1.49736   133.21108  -177.96673
   60    59 S   HC   _H45    53     1.12191   108.00737    71.18728
   61    59 S   CA   _C8_    54     1.51372   107.25655   -44.98704
   62    61 S   CA   _C4_    55     1.38513   120.21854   116.22189
   63    62 S   HA   _H30    56     1.08707   120.71263    -0.48739
   64    62 S   CA   _C5_    57     1.39323   119.71089   179.29058
   65    64 S   HA   _H31    58     1.08752   117.56100   179.41650
   66    64 S   CA   _C9_    59     1.41326   121.79045    -0.09279
   67    66 S   CA   _C10    60     1.41615   118.50291     1.95735
   68    61 S   CA   _C6_    61     1.39387   120.15918   -63.64740
   69    68 S   HA   _H32    62     1.08861   117.98207    -0.67782
   70    67 S   CT   _C23    63     1.53349   122.40644   178.94557
   71    70 S   CT   _C20    64     1.54454   111.67114   -15.32983
   72    71 S   HC   _H43    65     1.09781   110.33035   -76.57075
   73    71 S   HC   _H44    66     1.09736   110.21331   167.05510
   74    70 S   CT   _C26    79     1.54559   108.68799   105.99617
   75    74 S   HC   _H52    80     1.08250   108.92202  -179.97202
   76    74 S   HC   _H53    81     1.08288   108.93028    60.01725
   77    74 S   HC   _H54    82     1.08330   108.93099   -59.99935
   78    70 S   CT   _C27    83     1.54759   111.89375  -134.46900
   79    78 S   HC   _H55    84     1.08262   108.76712  -179.98022
   80    78 S   HC   _H56    85     1.08189   108.77986    60.02689
   81    78 S   HC   _H57    86     1.08197   108.80934   -59.98022
   82    71 S   CT   _C19    67     1.52002   112.00088    45.28225
   83    82 S   HC   _H41    68     1.09720   109.26512    60.23949
   84    82 S   HC   _H42    69     1.09772   109.12404   175.40658
   85    66 S   CT   _C22    70     1.53453   119.07426  -179.78878
   86    85 S   CT   _C24    71     1.54759   111.88814    47.26547
   87    86 S   HC   _H46    72     1.08197   108.83711   180.00000
   88    86 S   HC   _H47    73     1.08178   108.79756    59.97990
   89    86 S   HC   _H48    74     1.08226   108.80550   -59.98051
   90    85 S   CT   _C25    75     1.54558   108.68018   -72.26734
   91    90 S   HC   _H49    76     1.08310   108.90691  -180.00000
   92    90 S   HC   _H50    77     1.08278   108.94378    60.03780
   93    90 S   HC   _H51    78     1.08266   108.91676   -60.00420
  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   8   5   4   3
  12   6   2   1   1  10   7   3   9   4   3   2  14   1   1  11
  10   6   5   2   8   5   4   7   4   3   8   3   9   8   4   9
   3  19  18   6   1  15  16   7   6   8   3   2   1   4   2   1
   1  11   4   3   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    52    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    48    52    39    40    43    44    46  
   38    41    52    39    40    43  
   36    37  
   37  
    0  
   41    42    45    48    49    59    52    39    40    43  
   40    43    44    46    47    41    52  
   43    44    46  
   42    45    48    49    56    59    60    61    52  
   45    48    59    52  
   44    46    47  
   46    47  
   48    49    50    51    53    56    57    58    59    60    61    62    68    52  
   47  
    0  
   49    50    51    53    54    55    56    59    60    61    52  
   50    51    53    54    55    56    57    58    59    52  
   51    53    54    55    56    52  
   53    54    55    56    52  
   53    59  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    68  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    67    68    69  
   61    62    68  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    85  
   64    65    66    68  
   65    66    67    68    70    82    85    86    90  
   66    67    85  
   67    68    69    70    71    82    83    84    85    86    87    88    89    90    91    92    93    74    78  
   68    69    70    71    72    73    82    85    86    90    74    75    76    77    78    79    80    81  
   69    70    71    85    74    78  
   70  
   71    72    73    82    83    84    85    74    75    76    77    78    79    80    81  
   72    73    82    83    84    85    86    90    74    75    76    77    78    79    80    81  
   73    82    83    84    85    74    78  
   82    83    84    85    74    78  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91    92    93  
   84    85    86    90  
   85    86    90  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   295.000  1.489
   33    39   317.000  1.510
   38    41   546.000  1.367
   38    52   340.000  1.360
   41    42   367.000  1.080
   41    45   469.000  1.424
   45    48   546.000  1.367
   45    59   285.000  1.502
   48    49   295.000  1.489
   48    52   340.000  1.360
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   317.000  1.510
   61    62   469.000  1.400
   61    68   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    85   317.000  1.510
   67    68   469.000  1.400
   67    70   317.000  1.510
   68    69   367.000  1.080
   70    71   268.000  1.529
   70    74   268.000  1.529
   70    78   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   268.000  1.529
   85    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   510.000  1.338
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    50.00000  133.50000
   33    38    52    80.00000  116.10000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    45.00000  110.47400
   38    41    42    35.00000  125.70000
   38    41    45    70.00000  107.30000
   38    52    48    70.00000  106.50000
   41    45    48    70.00000  107.30000
   41    45    59    60.00000  130.00000
   45    41    42    35.00000  127.50000
   45    48    49    50.00000  133.50000
   45    48    52    70.00000  110.60000
   45    59    56    70.00000  112.17500
   45    59    60    35.00000  109.50000
   45    59    61    70.00000  112.04700
   48    49    50    45.00000  110.47400
   48    49    51    45.00000  110.47400
   48    49    53    70.00000  113.44400
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    70.00000  112.17500
   58    56    57    33.00000  107.80000
   59    45    48    60.00000  130.00000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    70.00000  120.00000
   59    61    68    70.00000  120.00000
   61    59    60    35.00000  109.50000
   61    62    63    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    68    67    63.00000  120.00000
   61    68    69    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    85    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    63.00000  120.00000
   66    67    70    70.00000  120.00000
   66    85    82    70.00000  112.17500
   66    85    86    70.00000  112.17500
   66    85    90    70.00000  112.17500
   67    68    69    35.00000  120.00000
   67    70    71    70.00000  112.17500
   67    70    74    70.00000  112.17500
   67    70    78    70.00000  112.17500
   68    61    62    63.00000  120.00000
   70    67    68    70.00000  120.00000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    82    58.35000  112.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   71    82    83    37.50000  110.70000
   71    82    84    37.50000  110.70000
   71    82    85    58.35000  112.70000
   73    71    72    33.00000  107.80000
   82    71    72    37.50000  110.70000
   82    71    73    37.50000  110.70000
   82    85    86    58.35000  112.70000
   82    85    90    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    66    67    70.00000  120.00000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    86    87    37.50000  110.70000
   85    86    88    37.50000  110.70000
   85    86    89    37.50000  110.70000
   85    90    91    37.50000  110.70000
   85    90    92    37.50000  110.70000
   85    90    93    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    85    86    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   74    70    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    70    71    58.35000  112.70000
   78    70    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   52    38    41    70.00000  110.60000
   52    48    49    80.00000  116.10000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.40000
   39    43    44    65.00000  137.10300
   39    43    46    80.00000  121.38400
   43    39    40    40.00000  120.50800
   43    46    47    70.00000  107.45700
   46    43    44   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    52   0.04300 -1.0 2.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    52    48   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    52   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41   -45    48   3.62500 -1.0 2.0
   38    41    45    59   3.62500 -1.0 2.0
   41    38   -52    48   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   41    45    59    56   0.04150 -1.0 2.0
   41    45    59    60   0.00000  1.0 1.0
   41    45    59    61   0.04300 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   42    41    45    59   3.62500 -1.0 2.0
   45    48    49    50   0.00000  1.0 1.0
   45    48    49    51   0.00000  1.0 1.0
   45    48    49    53   0.04150 -1.0 2.0
   45    48   -52    38   3.62500 -1.0 2.0
   45    59    61    62   0.04300 -1.0 2.0
   45    59    61    68   0.04300 -1.0 2.0
   48    45    59    56   0.04150 -1.0 2.0
   48    45    59    60   0.00000  1.0 1.0
   48    45    59    61   0.04300 -1.0 2.0
   48    49    53    54   0.43200  1.0 3.0
   48    49    53    55   0.43200  1.0 3.0
   48    49   -53    56  -0.03700  1.0 1.0
   48    49   -53    56   0.37200 -1.0 2.0
   48    49   -53    56  -0.47300  1.0 3.0
   49    48    52    38   3.62500 -1.0 2.0
   49    53    56    57   0.15000  1.0 3.0
   49    53    56    58   0.15000  1.0 3.0
   49    53    56    59   0.56750  1.0 1.0
   49    53    56    59  -0.07550 -1.0 2.0
   49    53    56    59   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   53    56   -59    45  -0.03700  1.0 1.0
   53    56   -59    45   0.37200 -1.0 2.0
   53    56   -59    45  -0.47300  1.0 3.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61  -0.03700  1.0 1.0
   53    56    59    61   0.37200 -1.0 2.0
   53    56    59    61  -0.47300  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   0.04150 -1.0 2.0
   56    59    61    68   0.04150 -1.0 2.0
   57    56    59    45   0.43200  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.43200  1.0 3.0
   58    56    59    45   0.43200  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.43200  1.0 3.0
   59    45   -48    49   3.62500 -1.0 2.0
   59    45    48    52   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    64   3.62500 -1.0 2.0
   59    61    68    67   3.62500 -1.0 2.0
   59    61    68    69   3.62500 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    68   0.00000  1.0 1.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    66   3.62500 -1.0 2.0
   62    61    68    67   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    64   -66    67   3.62500 -1.0 2.0
   62    64    66    85   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    70   3.62500 -1.0 2.0
   64    66    85    82   0.04150 -1.0 2.0
   64    66    85    86   0.04150 -1.0 2.0
   64    66    85    90   0.04150 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    85   3.62500 -1.0 2.0
   66    67   -68    61   3.62500 -1.0 2.0
   66    67    68    69   3.62500 -1.0 2.0
   66    67    70    71   0.04150 -1.0 2.0
   66    67    70    74   0.04150 -1.0 2.0
   66    67    70    78   0.04150 -1.0 2.0
   66    85    86    87   0.43200  1.0 3.0
   66    85    86    88   0.43200  1.0 3.0
   66    85    86    89   0.43200  1.0 3.0
   66    85    90    91   0.43200  1.0 3.0
   66    85    90    92   0.43200  1.0 3.0
   66    85    90    93   0.43200  1.0 3.0
   67    66    85    82   0.04150 -1.0 2.0
   67    66    85    86   0.04150 -1.0 2.0
   67    66    85    90   0.04150 -1.0 2.0
   67    70    71    72   0.43200  1.0 3.0
   67    70    71    73   0.43200  1.0 3.0
   67    70   -71    82  -0.03700  1.0 1.0
   67    70   -71    82   0.37200 -1.0 2.0
   67    70   -71    82  -0.47300  1.0 3.0
   67    70    74    75   0.43200  1.0 3.0
   67    70    74    76   0.43200  1.0 3.0
   67    70    74    77   0.43200  1.0 3.0
   67    70    78    79   0.43200  1.0 3.0
   67    70    78    80   0.43200  1.0 3.0
   67    70    78    81   0.43200  1.0 3.0
   68    61    62    63   3.62500 -1.0 2.0
   68    61   -62    64   3.62500 -1.0 2.0
   68    67    70    71   0.04150 -1.0 2.0
   68    67    70    74   0.04150 -1.0 2.0
   68    67    70    78   0.04150 -1.0 2.0
   70    67    68    61   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    71    82    83   0.15000  1.0 3.0
   70    71    82    84   0.15000  1.0 3.0
   70    71    82    85   0.56750  1.0 1.0
   70    71    82    85  -0.07550 -1.0 2.0
   70    71    82    85   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    81   0.15000  1.0 3.0
   71    82   -85    66  -0.03700  1.0 1.0
   71    82   -85    66   0.37200 -1.0 2.0
   71    82   -85    66  -0.47300  1.0 3.0
   71    82    85    86   0.56750  1.0 1.0
   71    82    85    86  -0.07550 -1.0 2.0
   71    82    85    86   0.20000  1.0 3.0
   71    82    85    90   0.56750  1.0 1.0
   71    82    85    90  -0.07550 -1.0 2.0
   71    82    85    90   0.20000  1.0 3.0
   72    71    82    83   0.15000  1.0 3.0
   72    71    82    84   0.15000  1.0 3.0
   72    71    82    85   0.15000  1.0 3.0
   73    71    82    83   0.15000  1.0 3.0
   73    71    82    84   0.15000  1.0 3.0
   73    71    82    85   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
   82    85    86    89   0.15000  1.0 3.0
   82    85    90    91   0.15000  1.0 3.0
   82    85    90    92   0.15000  1.0 3.0
   82    85    90    93   0.15000  1.0 3.0
   83    82    85    66   0.43200  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    90   0.15000  1.0 3.0
   84    82    85    66   0.43200  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    90   0.15000  1.0 3.0
   85    66    67    68   3.62500 -1.0 2.0
   85    66   -67    70   3.62500 -1.0 2.0
   86    85    90    91   0.15000  1.0 3.0
   86    85    90    92   0.15000  1.0 3.0
   86    85    90    93   0.15000  1.0 3.0
   90    85    86    87   0.15000  1.0 3.0
   90    85    86    88   0.15000  1.0 3.0
   90    85    86    89   0.15000  1.0 3.0
   74    70    71    72   0.15000  1.0 3.0
   74    70    71    73   0.15000  1.0 3.0
   74    70    71    82   0.56750  1.0 1.0
   74    70    71    82  -0.07550 -1.0 2.0
   74    70    71    82   0.20000  1.0 3.0
   74    70    78    79   0.15000  1.0 3.0
   74    70    78    80   0.15000  1.0 3.0
   74    70    78    81   0.15000  1.0 3.0
   78    70    71    72   0.15000  1.0 3.0
   78    70    71    73   0.15000  1.0 3.0
   78    70    71    82   0.56750  1.0 1.0
   78    70    71    82  -0.07550 -1.0 2.0
   78    70    71    82   0.20000  1.0 3.0
   78    70    74    75   0.15000  1.0 3.0
   78    70    74    76   0.15000  1.0 3.0
   78    70    74    77   0.15000  1.0 3.0
   52    38    41    42   3.62500 -1.0 2.0
   52    38   -41    45   3.62500 -1.0 2.0
   52    48    49    50   0.00000  1.0 1.0
   52    48    49    51   0.00000  1.0 1.0
   52    48    49    53   0.38650  1.0 1.0
   52    48    49    53  -0.24750 -1.0 2.0
   52    48    49    53   0.76750  1.0 3.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    52   0.04300 -1.0 2.0
   39    43    46    47  -0.66100  1.0 1.0
   39    43    46    47   1.20850 -1.0 2.0
   39    43    46    47  -0.36000  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   44    43    46    47   2.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   41    52    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    59    45    41   4.00000 -1.0 2.0
   49    52    48    45   4.00000 -1.0 2.0
   62    68    61    59   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    85    66    64   4.00000 -1.0 2.0
   68    70    67    66   4.00000 -1.0 2.0
   67    69    68    61   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    46    43    39  15.00000 -1.0 2.0
END
