#       Name:                   100
#       Creating user name:     martin
#       Creation time:          Sat Apr 23 14:16:50 1994

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

@<TRIPOS>MOLECULE
100
   36    38     1     0     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1         -0.3010   -4.8580    1.3330 C.3       1 <1>        -0.4710
      2 N2          1.0298   -4.2590    1.4920 N.3       1 <1>        -0.0579
      3 C3          2.0590   -5.2770    1.2470 C.3       1 <1>        -0.2100
      4 C4          3.4690   -4.7330    1.5010 C.3       1 <1>        -0.0627
      5 C5          3.7240   -3.5310    0.5900 C.3       1 <1>        -0.2030
      6 C6          2.6300   -2.4740    0.8030 C.3       1 <1>         0.0492
      7 C7          2.8430   -1.3100   -0.1760 C.3       1 <1>        -0.5630
      8 C8          1.7460   -0.2820   -0.1070 C.ar      1 <1>         0.2470
      9 C9          1.9750    1.0140   -0.5760 C.ar      1 <1>        -0.2630
     10 C10         0.9940    2.0088   -0.5310 C.ar      1 <1>         0.2030
     11 O11         1.2520    3.2620   -0.9960 O.3       1 <1>        -0.5180
     12 C12        -0.2620    1.6920    0.0039 C.ar      1 <1>         0.1760
     13 O13        -1.2420    2.6360    0.0677 O.3       1 <1>        -0.4590
     14 C14        -0.4870    0.3930    0.4710 C.ar      1 <1>        -0.1770
     15 C15         0.4940   -0.6010    0.4240 C.ar      1 <1>         0.0389
     16 C16         0.1780   -1.9780    0.9540 C.3       1 <1>        -0.2670
     17 C17         1.2180   -3.0710    0.6340 C.3       1 <1>        -0.2810
     18 H18        -1.1010   -4.1700    1.6880 H         1 <1>         0.1430
     19 H19        -0.4990   -5.1350    0.2720 H         1 <1>         0.1450
     20 H20        -0.3990   -5.7740    1.9610 H         1 <1>         0.1570
     21 H21         1.9820   -5.6570    0.2000 H         1 <1>         0.1160
     22 H22         1.8990   -6.1470    1.9290 H         1 <1>         0.1050
     23 H23         4.2310   -5.5270    1.3120 H         1 <1>         0.0529
     24 H24         3.5670   -4.4260    2.5700 H         1 <1>         0.0557
     25 H25         4.7310   -3.0989    0.8010 H         1 <1>         0.0742
     26 H26         3.7230   -3.8700   -0.4720 H         1 <1>         0.0968
     27 H27         2.7160   -2.0860    1.8480 H         1 <1>         0.1370
     28 H28         2.8730   -1.6910   -1.2230 H         1 <1>         0.1700
     29 H29         3.8260   -0.8280    0.0366 H         1 <1>         0.1760
     30 H30         2.9610    1.2670   -0.9990 H         1 <1>         0.0605
     31 H31         2.1650    3.3010   -1.3250 H         1 <1>         0.3880
     32 H32        -0.8990    3.4700   -0.2950 H         1 <1>         0.3700
     33 H33        -1.4760    0.1520    0.8940 H         1 <1>         0.0840
     34 H34         0.0791   -1.8800    2.0607 H         1 <1>         0.1270
     35 H35        -0.8140   -2.2710    0.5400 H         1 <1>         0.1440
     36 H36         1.1060   -3.3700   -0.4360 H         1 <1>         0.2140
@<TRIPOS>BOND
     1    1    2 1   
     2    2    3 1   
     3    2   17 1   
     4    3    4 1   
     5    4    5 1   
     6    5    6 1   
     7    6    7 1   
     8    6   17 1   
     9    7    8 1   
    10    8    9 ar  
    11    8   15 ar  
    12    9   10 ar  
    13   10   11 1   
    14   10   12 ar  
    15   12   13 1   
    16   12   14 ar  
    17   14   15 ar  
    18   15   16 1   
    19   16   17 1   
    20    1   18 1   
    21    1   19 1   
    22    1   20 1   
    23    3   21 1   
    24    3   22 1   
    25    4   23 1   
    26    4   24 1   
    27    5   25 1   
    28    5   26 1   
    29    6   27 1   
    30    7   28 1   
    31    7   29 1   
    32    9   30 1   
    33   11   31 1   
    34   13   32 1   
    35   14   33 1   
    36   16   34 1   
    37   16   35 1   
    38   17   36 1   
@<TRIPOS>SUBSTRUCTURE
     1 ****        1 TEMP              0 ****  ****    0 ROOT

Last updated: March 15, 2001