@<TRIPOS>MOLECULE
DB02242
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2360    -3.0131     1.5649	O.2	1	noname	-0.2559
2	C1    -2.3527    -2.1902     1.8889	C.2	1	noname	0.1348
3	O2    -2.0732    -1.9784     3.1926	O.3	1	noname	-0.2189
4	C2    -1.6234    -1.4580     0.8576	C.3	1	noname	0.0337
5	C3    -0.6077    -0.5233     1.5175	C.3	1	noname	-0.0411
6	C4     0.1566     0.2440     0.4367	C.3	1	noname	-0.0409
7	C5     0.9075    -0.7712    -0.4929	C.3	1	noname	-0.0504
8	C6     1.0051     1.3828     1.1047	C.3	1	noname	-0.0504
9	C7     2.2503    -0.2473    -1.0844	C.3	1	noname	-0.0530
10	C8     2.5321     1.0814     1.2126	C.3	1	noname	-0.0530
11	C9     3.1939     0.4850    -0.0727	C.3	1	noname	-0.0533
12	H1    -1.9771    -2.8221     3.6404	H	1	noname	0.2213
13	H2    -1.0652    -2.2072     0.2962	H	1	noname	0.0372
14	H3    -2.3624    -0.8367     0.3518	H	1	noname	0.0372
15	H4    -1.1788     0.2136     2.0823	H	1	noname	0.0275
16	H5     0.1185    -1.1569     2.0267	H	1	noname	0.0275
17	H6    -0.5252     0.7694    -0.2320	H	1	noname	0.0303
18	H7     1.1788    -1.6120     0.1456	H	1	noname	0.0269
19	H8     0.2528    -0.9271    -1.3503	H	1	noname	0.0269
20	H9     0.9236     2.2419     0.4388	H	1	noname	0.0269
21	H10     0.6484     1.4538     2.1322	H	1	noname	0.0269
22	H11     2.7943    -1.1379    -1.3992	H	1	noname	0.0266
23	H12     1.9678     0.5068    -1.8190	H	1	noname	0.0266
24	H13     3.0087     2.0500     1.3633	H	1	noname	0.0266
25	H14     2.6214     0.3058     1.9732	H	1	noname	0.0266
26	H15     3.8756    -0.2845     0.2895	H	1	noname	0.0266
27	H16     3.5829     1.3453    -0.6174	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	10	11	1
12	3	12	1
13	4	13	1
14	4	14	1
15	5	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	9	22	1
23	9	23	1
24	10	24	1
25	10	25	1
26	11	26	1
27	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1