@<TRIPOS>MOLECULE
DB03380
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6874    -4.0302    -0.3619	O.2	1	noname	-0.2924
2	C1    -2.0796    -2.8447    -0.3051	C.2	1	noname	0.0412
3	N1    -3.3123    -2.5675     0.1411	N.3	1	noname	-0.0853
4	C2    -1.1946    -1.7621    -0.7250	C.3	1	noname	0.0827
5	N2    -1.8125    -1.0275    -1.8277	N.3	1	noname	-0.3200
6	C3    -0.9571    -0.8124     0.4508	C.3	1	noname	-0.0041
7	C4    -0.0721     0.2702     0.0309	C.2	1	noname	-0.0660
8	C5     1.3047     0.1338     0.1644	C.2	1	noname	-0.0475
9	C6    -0.6064     1.4374    -0.5025	C.2	1	noname	-0.0475
10	C7     2.1473     1.1645    -0.2353	C.2	1	noname	-0.0312
11	C8     0.2362     2.4681    -0.9023	C.2	1	noname	-0.0312
12	C9     1.6130     2.3316    -0.7687	C.2	1	noname	-0.0019
13	O2     2.4313     3.3327    -1.1570	O.3	1	noname	-0.2861
14	H1    -3.5850    -1.6096     0.3093	H	1	noname	0.1271
15	H2    -3.9688    -3.3164     0.3093	H	1	noname	0.1271
16	H3    -0.2660    -2.2037    -1.0868	H	1	noname	0.0563
17	H4    -2.7890    -0.7737    -1.7810	H	1	noname	0.1191
18	H5    -1.2629    -0.7737    -2.6362	H	1	noname	0.1191
19	H6    -1.9108    -0.3432     0.6928	H	1	noname	0.0337
20	H7    -0.4121    -1.3655     1.2158	H	1	noname	0.0337
21	H8     1.7236    -0.7815     0.5827	H	1	noname	0.0626
22	H9    -1.6861     1.5443    -0.6072	H	1	noname	0.0626
23	H10     3.2269     1.0575    -0.1306	H	1	noname	0.0650
24	H11    -0.1828     3.3833    -1.3205	H	1	noname	0.0650
25	H12     2.7901     3.7715    -0.3821	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	12	13	1
14	3	14	1
15	3	15	1
16	4	16	1
17	5	17	1
18	5	18	1
19	6	19	1
20	6	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1