@<TRIPOS>MOLECULE
DB07099
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6362    -2.4637     3.0147	O.2	1	noname	-0.2711
2	C1     0.2351    -1.7207     2.5341	C.2	1	noname	0.1358
3	N1    -0.1796    -1.0585     1.4260	N.3	1	noname	-0.1390
4	C2     1.5558    -1.6703     3.1874	C.3	1	noname	0.0678
5	C3     0.4274    -0.2142     0.5640	C.2	1	noname	-0.0333
6	N2     2.0997    -0.3176     3.4305	N.3	1	noname	-0.3229
7	C4     1.7309    -0.4746     0.0395	C.2	1	noname	-0.0258
8	C5    -0.3381     0.9456     0.2218	C.2	1	noname	-0.0258
9	C6     2.3416     0.4992    -0.7979	C.2	1	noname	-0.0223
10	C7     0.2791     1.9423    -0.5878	C.2	1	noname	-0.0223
11	C8     1.6038     1.7024    -1.0782	C.2	1	noname	0.0001
12	O2     2.2030     2.7502    -1.7191	O.3	1	noname	-0.2724
13	C9     2.4741     2.4671    -3.1002	C.3	1	noname	0.0784
14	C10     3.3275     3.4368    -3.7768	C.2	1	noname	-0.0434
15	C11     2.7138     4.0740    -4.8946	C.2	1	noname	-0.0497
16	C12     4.6803     3.7146    -3.3806	C.2	1	noname	-0.0497
17	C13     3.4532     5.0363    -5.6421	C.2	1	noname	-0.0585
18	C14     5.4309     4.6817    -4.1232	C.2	1	noname	-0.0585
19	C15     4.8011     5.3288    -5.2425	C.2	1	noname	-0.0611
20	H1    -1.1471    -1.2309     1.1929	H	1	noname	0.1371
21	H2     1.4063    -2.1057     4.1754	H	1	noname	0.0522
22	H3     2.2442    -2.1385     2.4839	H	1	noname	0.0522
23	H4     3.0971    -0.1818     3.5136	H	1	noname	0.1188
24	H5     1.4740     0.4709     3.5136	H	1	noname	0.1188
25	H6     2.2518    -1.4028     0.2747	H	1	noname	0.0640
26	H7    -1.3643     1.0667     0.5686	H	1	noname	0.0640
27	H8     3.3368     0.3300    -1.2089	H	1	noname	0.0650
28	H9    -0.2491     2.8655    -0.8260	H	1	noname	0.0650
29	H10     3.0322     1.5309    -3.0964	H	1	noname	0.0623
30	H11     1.5066     2.5228    -3.5991	H	1	noname	0.0623
31	H12     1.6896     3.8279    -5.1749	H	1	noname	0.0626
32	H13     5.1296     3.2003    -2.5310	H	1	noname	0.0626
33	H14     2.9992     5.5359    -6.4979	H	1	noname	0.0622
34	H15     6.4571     4.9197    -3.8433	H	1	noname	0.0622
35	H16     5.3665     6.0686    -5.8090	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	12	13	1
14	13	14	1
15	14	15	2
16	14	16	1
17	15	17	1
18	16	18	2
19	17	19	2
20	18	19	1
21	3	20	1
22	4	21	1
23	4	22	1
24	6	23	1
25	6	24	1
26	7	25	1
27	8	26	1
28	9	27	1
29	10	28	1
30	13	29	1
31	13	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	18	34	1
36	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1