@<TRIPOS>MOLECULE
DB04581
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.1378     0.0104     0.3453	N.2	1	noname	-0.2420
2	C1     1.4579     0.1878     0.2026	C.2	1	noname	-0.0479
3	C2    -0.4835     1.1355    -0.0207	C.2	1	noname	0.0083
4	N2     1.6698     1.4282    -0.2546	N.3	1	noname	-0.0430
5	C3     0.4927     2.0446    -0.4050	C.2	1	noname	-0.0705
6	C4     2.9312     1.9935    -0.5327	C.3	1	noname	-0.0178
7	C5     3.4441     2.6523     0.6650	C.2	1	noname	-0.0487
8	C6     4.6809     3.2858     0.6342	C.2	1	noname	-0.0589
9	C7     2.6955     2.6460     1.8362	C.2	1	noname	-0.0589
10	C8     5.1692     3.9130     1.7745	C.2	1	noname	-0.0608
11	C9     3.1838     3.2732     2.9765	C.2	1	noname	-0.0608
12	C10     4.4206     3.9067     2.9457	C.2	1	noname	-0.0680
13	H1     2.2285    -0.5514     0.4214	H	1	noname	0.1015
14	H2    -1.5636     1.2815    -0.0083	H	1	noname	0.0853
15	H3     0.3584     3.0654    -0.7628	H	1	noname	0.0808
16	H4     3.5958     1.1586    -0.7549	H	1	noname	0.0523
17	H5     2.7589     2.7670    -1.2811	H	1	noname	0.0523
18	H6     5.2680     3.2907    -0.2843	H	1	noname	0.0626
19	H7     1.7256     2.1492     1.8604	H	1	noname	0.0626
20	H8     6.1391     4.4097     1.7503	H	1	noname	0.0622
21	H9     2.5967     3.2682     3.8949	H	1	noname	0.0622
22	H10     4.8035     4.3985     3.8399	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	4	5	1
7	6	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	2
12	10	12	2
13	11	12	1
14	2	13	1
15	3	14	1
16	5	15	1
17	6	16	1
18	6	17	1
19	8	18	1
20	9	19	1
21	10	20	1
22	11	21	1
23	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1