@<TRIPOS>MOLECULE
DB02670
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3798     0.5885     1.1313	O.3	1	noname	-0.3442
2	C1     1.0226    -0.6549     0.7021	C.3	1	noname	0.1835
3	C2     0.0145     1.6152     0.1534	C.3	1	noname	0.0865
4	O2     1.9064    -1.1060     1.7178	O.3	1	noname	-0.3656
5	C3     1.7776    -0.6055    -0.6584	C.3	1	noname	0.1306
6	C4    -0.1622     1.1348    -1.3172	C.3	1	noname	0.0046
7	C5    -1.2588     2.3278     0.6136	C.3	1	noname	0.0697
8	O3     3.0386     0.0217    -0.4773	O.3	1	noname	-0.3850
9	C6     0.9709     0.1556    -1.7564	C.3	1	noname	0.0875
10	O4    -1.0306     2.9365     1.8760	O.3	1	noname	-0.3935
11	O5     0.4538    -0.7761    -2.6950	O.3	1	noname	-0.3900
12	H1     0.1918    -1.3570     0.6316	H	1	noname	0.0949
13	H2     0.8936     2.2592     0.1796	H	1	noname	0.0629
14	H3     1.9169    -2.0659     1.7298	H	1	noname	0.2134
15	H4     2.0048    -1.6175    -0.9935	H	1	noname	0.0681
16	H5    -1.0878     0.5597    -1.3393	H	1	noname	0.0321
17	H6    -0.0570     2.0224    -1.9410	H	1	noname	0.0321
18	H7    -1.4531     3.1502    -0.0749	H	1	noname	0.0590
19	H8    -2.0241     1.5718     0.7893	H	1	noname	0.0590
20	H9     3.2195     0.1116     0.4612	H	1	noname	0.2108
21	H10     1.7025     0.7745    -2.2757	H	1	noname	0.0630
22	H11    -0.9102     2.2560     2.5423	H	1	noname	0.2101
23	H12     0.0469    -1.5092    -2.2274	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	5	8	1
8	5	9	1
9	6	9	1
10	7	10	1
11	9	11	1
12	2	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1