@<TRIPOS>MOLECULE
DB01638
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0349     0.9533    -1.0838	O.3	1	noname	-0.3874
2	C1     0.3882    -0.1888    -0.3538	C.3	1	noname	0.1107
3	C2     0.8762     0.2428     1.0306	C.3	1	noname	0.1107
4	C3    -0.7843    -1.1598    -0.2014	C.3	1	noname	0.1056
5	O2     1.9644     1.1440     0.8891	O.3	1	noname	-0.3874
6	C4     1.3321    -0.9878     1.8172	C.3	1	noname	0.1056
7	O3    -1.2373    -1.5604    -1.4862	O.3	1	noname	-0.3878
8	C5    -0.3285    -2.3904     0.5852	C.3	1	noname	0.0718
9	O4     1.7850    -0.5873     3.1020	O.3	1	noname	-0.3878
10	C6     2.4724    -1.6790     1.0670	C.3	1	noname	0.0718
11	O5    -1.4167    -3.2916     0.7267	O.3	1	noname	-0.3934
12	O6     2.8955    -2.8211     1.7970	O.3	1	noname	-0.3934
13	H1    -0.2919     1.6470    -0.4720	H	1	noname	0.2106
14	H2     1.1947    -0.6276    -0.9412	H	1	noname	0.0657
15	H3     0.1072     0.7969     1.5689	H	1	noname	0.0657
16	H4    -1.6403    -0.6791     0.2724	H	1	noname	0.0652
17	H5     2.2791     1.4046     1.7578	H	1	noname	0.2106
18	H6     0.5039    -1.6723     2.0006	H	1	noname	0.0652
19	H7    -1.2545    -2.5190    -1.5349	H	1	noname	0.2106
20	H8     0.4114    -2.9199    -0.0151	H	1	noname	0.0591
21	H9    -0.0815    -2.0715     1.5978	H	1	noname	0.0591
22	H10     1.9720    -1.3653     3.6323	H	1	noname	0.2106
23	H11     2.0742    -2.0648     0.1285	H	1	noname	0.0591
24	H12     3.3290    -1.0049     1.0594	H	1	noname	0.0591
25	H13    -1.5925    -3.4372     1.6592	H	1	noname	0.2101
26	H14     2.8293    -2.6421     2.7378	H	1	noname	0.2101
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	8	11	1
11	10	12	1
12	1	13	1
13	2	14	1
14	3	15	1
15	4	16	1
16	5	17	1
17	6	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	10	23	1
23	10	24	1
24	11	25	1
25	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1