@<TRIPOS>MOLECULE
DB07317
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6466    -1.2167     0.2362	O.2	1	noname	-0.2579
2	C1     0.0238    -0.1744     0.0722	C.2	1	noname	0.1031
3	O2     1.4357    -0.0331     0.1104	O.3	1	noname	-0.2072
4	C2    -0.4905     1.2317    -0.2139	C.2	1	noname	0.0649
5	C3     1.6820     0.7188    -1.0691	C.3	1	noname	0.0610
6	C4    -1.5795     1.8353     0.2536	C.2	1	noname	-0.0624
7	C5     0.5640     1.7673    -1.1729	C.3	1	noname	0.0034
8	N1    -1.8568     3.0621    -0.1126	N.3	1	noname	-0.0405
9	C6    -2.9915     3.4593     0.4792	C.2	1	noname	-0.0330
10	C7    -3.4898     4.7349     0.2412	C.2	1	noname	-0.0622
11	C8    -3.6702     2.5958     1.3310	C.2	1	noname	-0.0622
12	C9    -4.6668     5.1470     0.8552	C.2	1	noname	-0.0639
13	C10    -4.8473     3.0078     1.9449	C.2	1	noname	-0.0639
14	C11    -5.3456     4.2834     1.7070	C.2	1	noname	-0.0865
15	H1     2.6279     1.2351    -0.9048	H	1	noname	0.0576
16	H2     1.5799     0.0192    -1.8987	H	1	noname	0.0576
17	H3    -2.2499     1.3206     0.9420	H	1	noname	0.0757
18	H4     0.1528     1.7306    -2.1817	H	1	noname	0.0342
19	H5     0.9390     2.7086    -0.7711	H	1	noname	0.0342
20	H6    -1.2908     3.6097    -0.7450	H	1	noname	0.1336
21	H7    -2.9575     5.4121    -0.4267	H	1	noname	0.0639
22	H8    -3.2794     1.5955     1.5176	H	1	noname	0.0639
23	H9    -5.0576     6.1473     0.6686	H	1	noname	0.0623
24	H10    -5.3795     2.3306     2.6129	H	1	noname	0.0623
25	H11    -6.2686     4.6065     2.1884	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	2
6	4	7	1
7	5	7	1
8	6	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	12	14	2
15	13	14	1
16	5	15	1
17	5	16	1
18	6	17	1
19	7	18	1
20	7	19	1
21	8	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1