@<TRIPOS>MOLECULE
DB04046
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2269     0.0960    -0.3710	O.3	1	noname	-0.3413
2	C1     1.6359    -0.2682    -0.5316	C.3	1	noname	0.1860
3	C2    -0.3447     1.2142    -1.1240	C.3	1	noname	0.1124
4	O2     1.7377    -1.4040    -1.3778	O.3	1	noname	-0.3530
5	C3     2.5817     0.8532    -1.0523	C.3	1	noname	0.1333
6	C4     0.4036     1.6219    -2.4272	C.3	1	noname	0.1112
7	C5    -1.8093     0.9143    -1.4494	C.3	1	noname	0.0722
8	C6     1.0309    -2.4908    -0.7985	C.3	1	noname	0.0389
9	O3     2.8983     1.7376     0.0126	O.3	1	noname	-0.3849
10	C7     1.9512     1.6610    -2.2294	C.3	1	noname	0.1134
11	O4     0.0819     0.7064    -3.4638	O.3	1	noname	-0.3874
12	O5    -2.5355     0.7361    -0.2422	O.3	1	noname	-0.3934
13	O6     2.5929     1.3049    -3.4450	O.3	1	noname	-0.3873
14	H1     1.9372    -0.5601     0.4744	H	1	noname	0.0951
15	H2    -0.2273     2.0331    -0.4143	H	1	noname	0.0657
16	H3     3.5339     0.4218    -1.3610	H	1	noname	0.0682
17	H4     0.0437     2.5895    -2.7770	H	1	noname	0.0657
18	H5    -2.2388     1.7991    -1.9192	H	1	noname	0.0591
19	H6    -1.8516    -0.0483    -1.9590	H	1	noname	0.0591
20	H7     1.0786    -2.4174     0.2880	H	1	noname	0.0530
21	H8    -0.0103    -2.4595    -1.1193	H	1	noname	0.0530
22	H9     1.4818    -3.4299    -1.1193	H	1	noname	0.0530
23	H10     3.1303     1.2288     0.7929	H	1	noname	0.2108
24	H11     2.1901     2.7046    -2.0244	H	1	noname	0.0658
25	H12     0.1823    -0.1918    -3.1401	H	1	noname	0.2106
26	H13    -2.6406    -0.2020    -0.0674	H	1	noname	0.2101
27	H14     2.6315     0.3485    -3.5183	H	1	noname	0.2106
@<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	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	10	1
12	7	12	1
13	10	13	1
14	2	14	1
15	3	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	8	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