@<TRIPOS>MOLECULE
DB02730
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2675     0.0498    -1.8241	S.3	1	noname	-0.1563
2	C1    -0.2443    -0.2061    -0.0001	C.3	1	noname	0.0618
3	C2    -1.9871    -0.0619    -2.4719	C.3	1	noname	-0.0179
4	C3     1.2069    -0.2589     0.5990	C.3	1	noname	0.0994
5	C4    -1.1299     0.9293     0.5969	C.3	1	noname	0.0983
6	O1     1.6437    -1.6085     0.6631	O.3	1	noname	-0.3888
7	C5     1.4397     0.4220     1.9627	C.3	1	noname	0.1317
8	O2    -0.3326     2.0521     1.0394	O.3	1	noname	-0.3430
9	C6    -1.9365     0.3805     1.7756	C.3	1	noname	0.0708
10	O3     2.8253     0.6833     2.1309	O.3	1	noname	-0.3850
11	C7     0.6434     1.7524     2.0799	C.3	1	noname	0.1836
12	O4    -2.7433     1.4147     2.3195	O.3	1	noname	-0.3935
13	O5     1.5506     2.8376     2.2047	O.3	1	noname	-0.3656
14	H1    -0.6197    -1.1325     0.4346	H	1	noname	0.0472
15	H2    -2.6873    -0.1073    -1.6378	H	1	noname	0.0344
16	H3    -2.2037     0.8159    -3.0807	H	1	noname	0.0344
17	H4    -2.0884    -0.9603    -3.0807	H	1	noname	0.0344
18	H5     1.8648     0.2595    -0.0985	H	1	noname	0.0642
19	H6    -1.7842     1.3482    -0.1676	H	1	noname	0.0641
20	H7     1.7295    -1.8738     1.5817	H	1	noname	0.2106
21	H8     1.1728    -0.2600     2.7700	H	1	noname	0.0682
22	H9    -2.6357    -0.3615     1.3900	H	1	noname	0.0591
23	H10    -1.2371     0.1107     2.5669	H	1	noname	0.0591
24	H11     3.0322     0.7223     3.0675	H	1	noname	0.2108
25	H12     0.0163     1.7053     2.9702	H	1	noname	0.0949
26	H13    -2.7119     1.3745     3.2781	H	1	noname	0.2101
27	H14     1.7040     3.0212     3.1345	H	1	noname	0.2134
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	2	4	1
4	2	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	7	10	1
10	7	11	1
11	8	11	1
12	9	12	1
13	11	13	1
14	2	14	1
15	3	15	1
16	3	16	1
17	3	17	1
18	4	18	1
19	5	19	1
20	6	20	1
21	7	21	1
22	9	22	1
23	9	23	1
24	10	24	1
25	11	25	1
26	12	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1