#       Name:                   56524
#       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
56524
   26    27     1     0     0
SMALL
USER_CHARGES


@<TRIPOS>ATOM
      1 N1          0.8200   -3.9390    1.4650 N.3       1 <1>        -0.9130
      2 C2          0.5500   -2.6570    0.8250 C.3       1 <1>         0.4640
      3 C3         -0.4970   -1.8690    1.6180 C.3       1 <1>        -0.2480
      4 C4         -0.8670   -0.5900    0.8570 C.3       1 <1>        -0.0904
      5 C5          0.3330    0.1980    0.3860 C.ar      1 <1>        -0.0883
      6 C6          1.6010   -0.3950    0.3280 C.ar      1 <1>         0.1260
      7 C7          1.8380   -1.8290    0.7340 C.3       1 <1>        -0.4830
      8 C8          2.6860    0.3650   -0.1130 C.ar      1 <1>        -0.1450
      9 C9          2.5060    1.6930   -0.4940 C.ar      1 <1>        -0.2720
     10 C10         1.2440    2.2920   -0.4440 C.ar      1 <1>         0.2820
     11 O11         1.0807    3.5900   -0.8220 O.3       1 <1>        -0.5130
     12 C12         0.1490    1.5360   -0.0003 C.ar      1 <1>         0.2570
     13 O13        -1.0840    2.1150    0.0415 O.3       1 <1>        -0.5030
     14 H14         1.4880   -4.4860    0.9320 H         1 <1>         0.3160
     15 H15        -0.0155   -4.5120    1.5160 H         1 <1>         0.3120
     16 H16         0.1560   -2.8560   -0.2020 H         1 <1>         0.0134
     17 H17        -0.0850   -1.6100    2.6230 H         1 <1>         0.1090
     18 H18        -1.4120   -2.4860    1.7870 H         1 <1>         0.0678
     19 H19        -1.4670   -0.8550   -0.0442 H         1 <1>         0.0493
     20 H20        -1.5100    0.0389    1.5160 H         1 <1>         0.0747
     21 H21         2.3420   -1.8120    1.7290 H         1 <1>         0.1660
     22 H22         2.5370   -2.3180    0.0146 H         1 <1>         0.1290
     23 H23         3.6940   -0.0803   -0.1610 H         1 <1>         0.0982
     24 H24         3.3720    2.2810   -0.8410 H         1 <1>         0.1120
     25 H25         1.9370    3.9560   -1.0975 H         1 <1>         0.3360
     26 H26        -1.0128    3.0313   -0.2760 H         1 <1>         0.3400
@<TRIPOS>BOND
     1    1    2 1   
     2    2    3 1   
     3    2    7 1   
     4    3    4 1   
     5    4    5 1   
     6    5    6 ar  
     7    5   12 ar  
     8    6    7 1   
     9    6    8 ar  
    10    8    9 ar  
    11    9   10 ar  
    12   10   11 1   
    13   10   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    7   21 1   
    23    7   22 1   
    24    8   23 1   
    25    9   24 1   
    26   11   25 1   
    27   13   26 1   
@<TRIPOS>SUBSTRUCTURE
     1 ****        1 TEMP              0 ****  ****    0 ROOT

Last updated: March 15, 2001