@<TRIPOS>MOLECULE
DB03810
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4921    -2.4245     0.0055	O.2	1	noname	-0.2495
2	C1     1.6631    -1.2108    -0.2400	C.2	1	noname	0.1438
3	O2     2.6286    -0.8260    -1.1015	O.3	1	noname	-0.2139
4	C2     0.8186    -0.2095     0.4048	C.3	1	noname	0.0943
5	N1     1.6526     0.6978     1.1914	N.3	1	noname	-0.3192
6	C3     0.0654     0.5865    -0.6628	C.3	1	noname	-0.0101
7	C4    -0.8195     1.6358     0.0129	C.3	1	noname	0.0380
8	C5     1.0700     1.2828    -1.5832	C.3	1	noname	-0.0600
9	C6    -1.7781     0.9714     0.8912	C.2	1	noname	0.1349
10	O3    -1.7848     1.2254     2.1151	O.2	1	noname	-0.2558
11	O4    -2.6572     0.0827     0.3814	O.3	1	noname	-0.2188
12	H1     3.3940    -0.5208    -0.6089	H	1	noname	0.2213
13	H2     0.1397    -0.7247     1.0843	H	1	noname	0.0574
14	H3     2.5846     0.4193     1.4631	H	1	noname	0.1191
15	H4     1.2966     1.6031     1.4631	H	1	noname	0.1191
16	H5    -0.5563    -0.0900    -1.2493	H	1	noname	0.0326
17	H6    -0.1820     2.2346     0.6635	H	1	noname	0.0376
18	H7    -1.4106     2.1186    -0.7653	H	1	noname	0.0376
19	H8     1.8166     1.8003    -0.9808	H	1	noname	0.0234
20	H9     1.5615     0.5406    -2.2122	H	1	noname	0.0234
21	H10     0.5475     2.0035    -2.2122	H	1	noname	0.0234
22	H11    -3.1060    -0.3709     1.0987	H	1	noname	0.2213
@<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	6	8	1
8	7	9	1
9	9	10	2
10	9	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	8	19	1
19	8	20	1
20	8	21	1
21	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1