@<TRIPOS>MOLECULE
DB02892
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5153    -2.6839    -0.4748	O.2	1	noname	-0.2614
2	C1     3.1970    -1.4928    -0.2686	C.2	1	noname	0.0910
3	O2     4.0408    -0.6736     0.3942	O.3	1	noname	-0.2204
4	C2     2.0006    -1.0222    -0.7121	C.2	1	noname	0.0488
5	C3     1.4469    -1.5386    -1.8056	C.2	1	noname	-0.0345
6	C4     1.3380     0.0279    -0.0028	C.3	1	noname	-0.0224
7	C5     0.0223     0.3673    -0.7061	C.3	1	noname	-0.0470
8	C6    -0.6867     1.4908     0.0528	C.3	1	noname	-0.0280
9	C7    -2.0024     1.8302    -0.6505	C.3	1	noname	0.0913
10	N1    -2.6798     2.9038     0.0747	N.3	1	noname	-0.3194
11	C8    -2.8578     0.6474    -0.6797	C.2	1	noname	0.1437
12	O3    -3.2308     0.1727    -1.7742	O.2	1	noname	-0.2496
13	O4    -3.2459     0.0664     0.4755	O.3	1	noname	-0.2140
14	H1     3.9220    -0.7890     1.3398	H	1	noname	0.2216
15	H2     0.3778    -1.7502    -1.8271	H	1	noname	0.0542
16	H3     2.0621    -1.7502    -2.6801	H	1	noname	0.0542
17	H4     1.0979    -0.3860     0.9765	H	1	noname	0.0318
18	H5     1.9942     0.8947    -0.0822	H	1	noname	0.0318
19	H6     0.2832     0.7657    -1.6865	H	1	noname	0.0270
20	H7    -0.6130    -0.5150    -0.6278	H	1	noname	0.0270
21	H8    -0.9476     1.0924     1.0332	H	1	noname	0.0288
22	H9    -0.0514     2.3731    -0.0255	H	1	noname	0.0288
23	H10    -1.8430     2.1593    -1.6773	H	1	noname	0.0571
24	H11    -2.1741     3.7414     0.3252	H	1	noname	0.1191
25	H12    -3.6535     2.8079     0.3252	H	1	noname	0.1191
26	H13    -3.2138    -0.8883     0.3800	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	9	11	1
11	11	12	2
12	11	13	1
13	3	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1