#       Creating user name:     martin
#       Creation time:          Sat Apr 23 14:16:51 1994

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

@<TRIPOS>MOLECULE
271TEH
   26    27     1     0     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 N1          0.9840   -4.1040    1.4360 N.3       1 <1>        -0.9120 
      2 C2          1.1470   -2.8850    0.6540 C.3       1 <1>         0.4640 
      3 C3          2.5730   -2.3390    0.8000 C.3       1 <1>        -0.2530 
      4 C4          2.7680   -1.1400   -0.1340 C.3       1 <1>        -0.0731 
      5 C5          1.6530   -0.1290   -0.0283 C.ar      1 <1>         0.0628 
      6 C6          1.8480    1.1620   -0.5260 C.ar      1 <1>        -0.3140 
      7 C7          0.8570    2.1470   -0.4620 C.ar      1 <1>         0.2960 
      8 O8          1.0841    3.3950   -0.9560 O.3       1 <1>        -0.5120 
      9 C9         -0.3760    1.8260    0.1220 C.ar      1 <1>         0.2710 
     10 O10        -1.3640    2.7600    0.2040 O.3       1 <1>        -0.4890 
     11 C11        -0.5680    0.5320    0.6190 C.ar      1 <1>        -0.2860 
     12 C12         0.4230   -0.4500    0.5530 C.ar      1 <1>         0.1120 
     13 C13         0.1420   -1.8210    1.1190 C.3       1 <1>        -0.4860 
     14 H14         1.6120   -4.8360    1.1210 H         1 <1>         0.3120 
     15 H15         0.0510   -4.4890    1.3330 H         1 <1>         0.3160 
     16 H16         0.9610   -3.1330   -0.4190 H         1 <1>         0.0112 
     17 H17         2.7450   -2.0299    1.8590 H         1 <1>         0.1060 
     18 H18         3.3250   -3.1290    0.5620 H         1 <1>         0.0679 
     19 H19         2.8010   -1.4930   -1.1920 H         1 <1>         0.0351 
     20 H20         3.7480   -0.6560    0.0887 H         1 <1>         0.0541 
     21 H21         2.8150    1.4200   -0.9890 H         1 <1>         0.1060 
     22 H22         1.9850    3.4390   -1.3140 H         1 <1>         0.3370 
     23 H23        -1.0429    3.5910   -0.1820 H         1 <1>         0.3340 
     24 H24        -1.5390    0.2880    1.0815 H         1 <1>         0.1350 
     25 H25        -0.8880   -2.1440    0.8410 H         1 <1>         0.1330 
     26 H26         0.1790   -1.7330    2.2300 H         1 <1>         0.1690 
@<TRIPOS>BOND
     1    1    2 1    
     2    2    3 1    
     3    2   13 1    
     4    3    4 1    
     5    4    5 1    
     6    5    6 ar   
     7    5   12 ar   
     8    6    7 ar   
     9    7    8 1    
    10    7    9 ar   
    11    9   10 1    
    12    9   11 ar   
    13   11   12 ar   
    14   12   13 1    
    15    1   14 1    
    16    1   15 1    
    17    2   16 1    
    18    3   17 1    
    19    3   18 1    
    20    4   19 1    
    21    4   20 1    
    22    6   21 1    
    23    8   22 1    
    24   10   23 1    
    25   11   24 1    
    26   13   25 1    
    27   13   26 1    
@<TRIPOS>SUBSTRUCTURE
     1 ****        1 TEMP              0 ****  ****    0 ROOT

Last updated: March 15, 2001