@<TRIPOS>MOLECULE
DB04548
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7540    -1.0159    -1.1025	O.2	1	noname	-0.2451
2	C1    -0.7796    -0.2328    -1.1072	C.2	1	noname	0.1501
3	O2    -0.3812     0.3420    -2.2619	O.3	1	noname	-0.2104
4	C2    -0.0353     0.0756     0.2015	C.3	1	noname	0.1486
5	O3     1.3590    -0.3387     0.0333	O.3	1	noname	-0.3361
6	C3    -0.2859     1.5696     0.5598	C.3	1	noname	0.0120
7	C4     2.3798     0.3326     0.8251	C.3	1	noname	0.1841
8	C5     0.9544     2.4635     0.2787	C.3	1	noname	0.0880
9	O4     3.6638    -0.1278     0.4303	O.3	1	noname	-0.3656
10	C6     2.3337     1.8835     0.7304	C.3	1	noname	0.1306
11	O5     1.0048     2.7817    -1.1043	O.3	1	noname	-0.3900
12	O6     2.6959     2.4451     1.9834	O.3	1	noname	-0.3850
13	H1    -0.1610    -0.3407    -2.8999	H	1	noname	0.2214
14	H2    -0.3427    -0.5181     1.0625	H	1	noname	0.0715
15	H3    -1.0681     1.9165    -0.1153	H	1	noname	0.0326
16	H4    -0.4432     1.6008     1.6380	H	1	noname	0.0326
17	H5     2.2064    -0.0021     1.8478	H	1	noname	0.0949
18	H6     0.8002     3.4040     0.8076	H	1	noname	0.0630
19	H7     4.1900    -0.3164     1.2108	H	1	noname	0.2134
20	H8     3.0990     2.2060     0.0245	H	1	noname	0.0681
21	H9     1.0235     1.9713    -1.6186	H	1	noname	0.2105
22	H10     2.8769     1.7404     2.6096	H	1	noname	0.2108
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	10	1
12	10	12	1
13	3	13	1
14	4	14	1
15	6	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1