#       Name:                   DOPAMINEO
#       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
DOPAMINEO
   22    22     1     0     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 N1          0.8870   -4.1320    1.4400 N.3       1 <1>        -0.4010
      2 C2          0.9040   -2.8270    0.7680 C.3       1 <1>        -0.0552
      3 C3          1.0938   -1.7130    1.8140 C.3       1 <1>        -0.1460
      4 C4          1.1100   -0.3450    1.1100 C.ar      1 <1>         0.0093
      5 C5          2.3240    0.2270    0.6420 C.ar      1 <1>        -0.0724
      6 C6          2.3200    1.4670    0.0089 C.ar      1 <1>        -0.0891
      7 C7          1.1420    2.1840   -0.1840 C.ar      1 <1>         0.1060
      8 O8          1.1550    3.3960   -0.8050 O.3       1 <1>        -0.3420
      9 C9         -0.0851    1.6210    0.2800 C.ar      1 <1>         0.1300
     10 O10        -1.2570    2.2900    0.1080 O.3       1 <1>        -0.3280
     11 C11        -0.0644    0.3760    0.9130 C.ar      1 <1>        -0.0847
     12 H12         1.5660   -4.7940    1.0543 H         1 <1>         0.1490
     13 H13        -0.0193   -4.6040    1.3820 H         1 <1>         0.1500
     14 H14         1.6560   -2.8000    0.1120 H         1 <1>         0.0797
     15 H15         0.0400   -2.6900    0.2880 H         1 <1>         0.0780
     16 H16         0.3410   -1.7420    2.4710 H         1 <1>         0.0849
     17 H17         1.9590   -1.8510    2.2940 H         1 <1>         0.0856
     18 H18         3.2780   -0.3040    0.7730 H         1 <1>         0.0532
     19 H19         3.2730    1.8920   -0.3450 H         1 <1>         0.0499
     20 H20         1.9580    3.7740   -1.1120 H         1 <1>         0.2360
     21 H21        -1.2620    3.1280   -0.3180 H         1 <1>         0.2410
     22 H22        -1.0212   -0.0393    1.2660 H         1 <1>         0.0648
@<TRIPOS>BOND
     1    1    2 1   
     2    2    3 1   
     3    3    4 1   
     4    4    5 ar  
     5    4   11 ar  
     6    5    6 ar  
     7    6    7 ar  
     8    7    8 1   
     9    7    9 ar  
    10    9   10 1   
    11    9   11 ar  
    12    1   12 1   
    13    1   13 1   
    14    2   14 1   
    15    2   15 1   
    16    3   16 1   
    17    3   17 1   
    18    5   18 1   
    19    6   19 1   
    20    8   20 1   
    21   10   21 1   
    22   11   22 1   
@<TRIPOS>SUBSTRUCTURE
     1 ****        1 TEMP              0 ****  ****    0 ROOT
  

Last updated: March 15, 2001