@<TRIPOS>MOLECULE
DB01648
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.7275    -0.6881    -1.4203	S.3	1	noname	-0.1702
2	C1     0.0027    -0.2208     0.1635	C.3	1	noname	0.0591
3	C2     1.5606    -0.1737     0.0655	C.3	1	noname	0.0991
4	C3    -0.6487     1.1413     0.5346	C.3	1	noname	0.0981
5	O1     2.0972    -1.4315     0.4481	O.3	1	noname	-0.3888
6	C4     2.2836     0.9578     0.8483	C.3	1	noname	0.1319
7	O2     0.1651     2.2648     0.1189	O.3	1	noname	-0.3429
8	C5    -0.8715     1.2049     2.0470	C.3	1	noname	0.0708
9	O3     3.6054     1.1071     0.3515	O.3	1	noname	-0.3850
10	C6     1.5114     2.3092     0.6906	C.3	1	noname	0.1859
11	O4    -1.4664     2.4489     2.3859	O.3	1	noname	-0.3935
12	O5     1.4728     2.9809     1.9411	O.3	1	noname	-0.3530
13	C7     0.7719     4.2076     1.7980	C.3	1	noname	0.0389
14	H1    -0.7706    -2.0041    -1.5138	H	1	noname	0.1026
15	H2    -0.1157    -0.8532     1.0434	H	1	noname	0.0469
16	H3     1.8090    -0.0294    -0.9860	H	1	noname	0.0642
17	H4    -1.5831     1.2731    -0.0110	H	1	noname	0.0641
18	H5     2.1225    -1.4906     1.4059	H	1	noname	0.2106
19	H6     2.4099     0.6884     1.8969	H	1	noname	0.0682
20	H7    -1.6097     0.4479     2.3116	H	1	noname	0.0591
21	H8     0.1045     1.2075     2.5322	H	1	noname	0.0591
22	H9     4.2180     1.1763     1.0874	H	1	noname	0.2108
23	H10     2.0396     2.9332    -0.0303	H	1	noname	0.0951
24	H11    -1.5073     2.5344     3.3412	H	1	noname	0.2101
25	H12     0.5412     4.6114     2.7838	H	1	noname	0.0530
26	H13     1.3910     4.9180     1.2502	H	1	noname	0.0530
27	H14    -0.1545     4.0350     1.2502	H	1	noname	0.0530
@<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	7	10	1
11	8	11	1
12	10	12	1
13	12	13	1
14	1	14	1
15	2	15	1
16	3	16	1
17	4	17	1
18	5	18	1
19	6	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	13	25	1
26	13	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1