#       Name:                   BNOREPIO
#       Creating user name:     martin
#       Creation time:          Sat Apr 23 14:16:52 1994

#       Modifying user name:    martin
#       Modification time:      Sun Apr 21 19:36:29 1996

@<TRIPOS>MOLECULE
BNOREPIO
   23    23     1     0     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 N1          0.8870   -4.1320    1.4400 N.3       1 <1>        -0.9430
      2 C2          0.9040   -2.8270    0.7680 C.3       1 <1>         0.1130
      3 C3          1.0938   -1.7130    1.8140 C.3       1 <1>         0.5450
      4 O4          0.0174   -1.7550    2.7540 O.3       1 <1>        -0.5490
      5 C5          1.1100   -0.3450    1.1100 C.ar      1 <1>        -0.0837
      6 C6          2.3240    0.2270    0.6420 C.ar      1 <1>        -0.1590
      7 C7          2.3200    1.4670    0.0089 C.ar      1 <1>        -0.2440
      8 C8          1.1420    2.1840   -0.1840 C.ar      1 <1>         0.3340
      9 O9          1.1550    3.3960   -0.8050 O.3       1 <1>        -0.5650
     10 C10        -0.0851    1.6210    0.2800 C.ar      1 <1>         0.3200
     11 O11        -1.2570    2.2900    0.1080 O.3       1 <1>        -0.5360
     12 C12        -0.0644    0.3760    0.9130 C.ar      1 <1>        -0.2820
     13 H13         1.0174   -4.9190    0.7980 H         1 <1>         0.3480
     14 H14         0.0093   -4.3210    1.9320 H         1 <1>         0.3300
     15 H15         1.6560   -2.8000    0.1120 H         1 <1>         0.0269
     16 H16         0.0400   -2.6900    0.2880 H         1 <1>         0.0408
     17 H17         1.9590   -1.8510    2.2940 H         1 <1>        -0.0497
     18 H18         0.0029   -0.9410    3.2280 H         1 <1>         0.3040
     19 H19         3.2780   -0.3040    0.7730 H         1 <1>         0.0847
     20 H20         3.2730    1.8920   -0.3450 H         1 <1>         0.1120
     21 H21         1.9580    3.7740   -1.1120 H         1 <1>         0.3630
     22 H22        -1.2620    3.1280   -0.3180 H         1 <1>         0.3610
     23 H23        -1.0212   -0.0393    1.2660 H         1 <1>         0.1270
@<TRIPOS>BOND
     1    1    2 1   
     2    2    3 1   
     3    3    4 1   
     4    3    5 1   
     5    5    6 ar  
     6    5   12 ar  
     7    6    7 ar  
     8    7    8 ar  
     9    8    9 1   
    10    8   10 ar  
    11   10   11 1   
    12   10   12 ar  
    13    1   13 1   
    14    1   14 1   
    15    2   15 1   
    16    2   16 1   
    17    3   17 1   
    18    4   18 1   
    19    6   19 1   
    20    7   20 1   
    21    9   21 1   
    22   11   22 1   
    23   12   23 1   
@<TRIPOS>SUBSTRUCTURE
     1 ****        1 TEMP              0 ****  ****    0 ROOT

Last updated: March 15, 2001