@<TRIPOS>MOLECULE
DB00874
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3022    -0.9865     0.1586	O.3	1	noname	-0.2632
2	C1    -0.1914     0.2805    -0.2940	C.2	1	noname	0.0247
3	C2    -1.6494    -1.2411     0.5281	C.3	1	noname	0.0817
4	C3     0.1007     1.3117     0.5911	C.2	1	noname	0.0250
5	C4    -0.3695     0.5539    -1.6452	C.2	1	noname	-0.0224
6	C5    -1.7749    -2.6770     1.0411	C.3	1	noname	0.1010
7	O2     0.2736     1.0462     1.9034	O.3	1	noname	-0.2673
8	C6     0.2147     2.6163     0.1251	C.2	1	noname	-0.0228
9	C7    -0.2555     1.8585    -2.1112	C.2	1	noname	-0.0640
10	O3    -3.1222    -2.9316     1.4106	O.3	1	noname	-0.3882
11	C8    -1.3558    -3.6511    -0.0618	C.3	1	noname	0.0715
12	C9     1.6427     0.7634     2.1527	C.3	1	noname	0.0424
13	C10     0.0366     2.8897    -1.2261	C.2	1	noname	-0.0637
14	O4    -1.4723    -4.9838     0.4143	O.3	1	noname	-0.3935
15	H1    -1.8555    -0.5665     1.3591	H	1	noname	0.0600
16	H2    -2.2242    -1.1607    -0.3945	H	1	noname	0.0600
17	H3    -0.5986    -0.2547    -2.3393	H	1	noname	0.0651
18	H4    -1.1905    -2.8280     1.9487	H	1	noname	0.0649
19	H5     0.4437     3.4249     0.8191	H	1	noname	0.0651
20	H6    -0.3951     2.0729    -3.1708	H	1	noname	0.0623
21	H7    -3.1943    -2.9453     2.3678	H	1	noname	0.2106
22	H8    -2.0758    -3.5692    -0.8761	H	1	noname	0.0591
23	H9    -0.2936    -3.5037    -0.2567	H	1	noname	0.0591
24	H10     1.8163     0.7276     3.2282	H	1	noname	0.0535
25	H11     1.9013    -0.1988     1.7106	H	1	noname	0.0535
26	H12     2.2613     1.5444     1.7106	H	1	noname	0.0535
27	H13     0.1260     3.9127    -1.5916	H	1	noname	0.0623
28	H14    -1.4721    -4.9818     1.3743	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	2
9	6	10	1
10	6	11	1
11	7	12	1
12	8	13	2
13	9	13	1
14	11	14	1
15	3	15	1
16	3	16	1
17	5	17	1
18	6	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	11	22	1
23	11	23	1
24	12	24	1
25	12	25	1
26	12	26	1
27	13	27	1
28	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1