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

#       Modifying user name:    martin
#       Modification time:      Sun Apr 21 19:36:30 1996

@<TRIPOS>MOLECULE
DMEDOPM
   28    28     1     0     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 C1         -0.6920   -4.6760    1.0248 C.3       1 <1>        -0.5620
      2 N2          0.6100   -4.0600    1.3100 N.3       1 <1>        -0.0281
      3 C3          1.6990   -4.9840    0.9580 C.3       1 <1>        -0.4530
      4 C4          0.7300   -2.7700    0.6200 C.3       1 <1>        -0.3330
      5 C5          1.1100   -1.5900    1.5400 C.3       1 <1>        -0.1150
      6 C6          1.0400   -0.2800    0.7900 C.ar      1 <1>         0.0479
      7 C7          2.0800    0.0900   -0.0800 C.ar      1 <1>        -0.1610
      8 C8          2.0100    1.3000   -0.7700 C.ar      1 <1>        -0.2230
      9 C9          0.9200    2.1700   -0.6200 C.ar      1 <1>         0.2970
     10 O10         0.8700    3.3400   -1.3000 O.3       1 <1>        -0.5230
     11 C11        -0.1300    1.8000    0.2500 C.ar      1 <1>         0.3170
     12 O12        -1.2000    2.6200    0.4100 O.3       1 <1>        -0.5070
     13 C13        -0.0500    0.5800    0.9300 C.ar      1 <1>        -0.2930
     14 H14        -0.7990   -4.9010   -0.0631 H         1 <1>         0.1820
     15 H15        -1.5230   -4.0032    1.3360 H         1 <1>         0.1660
     16 H16        -0.8040   -5.6220    1.5980 H         1 <1>         0.1850
     17 H17         1.7450   -5.1530   -0.1400 H         1 <1>         0.1640
     18 H18         2.6790   -4.6080    1.3130 H         1 <1>         0.1350
     19 H19         1.4840   -5.9300    1.4540 H         1 <1>         0.1590
     20 H20         1.4800   -2.8500   -0.2100 H         1 <1>         0.1550
     21 H21        -0.2500   -2.5200    0.1500 H         1 <1>         0.1780
     22 H22         0.4300   -1.5700    2.4200 H         1 <1>         0.0791
     23 H23         2.1400   -1.7000    1.9300 H         1 <1>         0.1020
     24 H24         2.9500   -0.5700   -0.2200 H         1 <1>         0.1080
     25 H25         2.8300    1.5800   -1.4400 H         1 <1>         0.0968
     26 H26         1.6700    3.4300   -1.8500 H         1 <1>         0.3380
     27 H27        -1.0800    3.4100   -0.1400 H         1 <1>         0.3420
     28 H28        -0.8700    0.3000    1.6100 H         1 <1>         0.1430
@<TRIPOS>BOND
     1    1    2 1   
     2    2    3 1   
     3    2    4 1   
     4    4    5 1   
     5    5    6 1   
     6    6    7 ar  
     7    6   13 ar  
     8    7    8 ar  
     9    8    9 ar  
    10    9   10 1   
    11    9   11 ar  
    12   11   12 1   
    13   11   13 ar  
    14    1   14 1   
    15    1   15 1   
    16    1   16 1   
    17    3   17 1   
    18    3   18 1   
    19    3   19 1   
    20    4   20 1   
    21    4   21 1   
    22    5   22 1   
    23    5   23 1   
    24    7   24 1   
    25    8   25 1   
    26   10   26 1   
    27   12   27 1   
    28   13   28 1   
@<TRIPOS>SUBSTRUCTURE
     1 ****        1 TEMP              0 ****  ****    0 ROOT

Last updated: March 15, 2001