@<TRIPOS>MOLECULE
DB02394
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9146    -0.4469    -0.6616	O.3	1	noname	-0.3604
2	C1    -0.1677     0.4773    -0.4820	C.3	1	noname	0.1461
3	C2     1.1783     0.9033    -1.0846	C.3	1	noname	0.0952
4	C3    -0.5491     0.9477     0.9612	C.3	1	noname	0.1163
5	C4    -1.3139     0.2026    -1.4722	C.3	1	noname	0.0775
6	C5     2.2673     1.4071    -0.0948	C.3	1	noname	0.0052
7	O2    -1.4418     0.0098     1.5443	O.3	1	noname	-0.3870
8	C6     0.6466     1.1877     1.9190	C.3	1	noname	0.1089
9	O3    -1.8084    -1.1132    -1.2707	O.3	1	noname	-0.3930
10	C7     1.7231     2.0465     1.2078	C.3	1	noname	0.0852
11	O4     0.1931     1.8650     3.0818	O.3	1	noname	-0.3875
12	O5     2.7998     2.2907     2.1008	O.3	1	noname	-0.3901
13	H1     1.4110     1.4718    -1.9850	H	1	noname	0.0636
14	H2    -1.0987     1.8857     0.8828	H	1	noname	0.0661
15	H3    -2.1436     0.8642    -1.2230	H	1	noname	0.0596
16	H4    -0.8994     0.2042    -2.4803	H	1	noname	0.0596
17	H5     2.8109     0.5171     0.2223	H	1	noname	0.0321
18	H6     2.7906     2.2084    -0.6164	H	1	noname	0.0321
19	H7    -1.3868     0.0677     2.5010	H	1	noname	0.2107
20	H8     1.0614     0.2488     2.2858	H	1	noname	0.0656
21	H9    -1.8746    -1.2895    -0.3293	H	1	noname	0.2101
22	H10     1.2994     3.0229     0.9728	H	1	noname	0.0629
23	H11    -0.0660     1.2221     3.7460	H	1	noname	0.2106
24	H12     2.4874     2.2199     3.0057	H	1	noname	0.2105
@<TRIPOS>BOND
1	2	1	1
2	3	1	1
3	2	4	1
4	2	5	1
5	2	3	1
6	3	6	1
7	4	7	1
8	4	8	1
9	5	9	1
10	6	10	1
11	8	11	1
12	8	10	1
13	10	12	1
14	3	13	1
15	4	14	1
16	5	15	1
17	5	16	1
18	6	17	1
19	6	18	1
20	7	19	1
21	8	20	1
22	9	21	1
23	10	22	1
24	11	23	1
25	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1