@<TRIPOS>MOLECULE
DB03360
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5517     1.1765    -0.4011	O.2	1	noname	-0.2493
2	C1     2.5937     0.4473    -0.7372	C.2	1	noname	0.1441
3	O2     2.6697    -0.2895    -1.8658	O.3	1	noname	-0.2138
4	C2     1.3925     0.3923     0.0909	C.3	1	noname	0.1027
5	N1     0.2363     0.8298    -0.6960	N.3	1	noname	-0.0620
6	C3     1.0598    -1.0652     0.4102	C.3	1	noname	-0.0263
7	C4     0.2003     1.4713    -1.8719	C.2	1	noname	0.0440
8	C5    -0.8694     0.3760     0.1508	C.3	1	noname	0.0067
9	C6    -0.4520    -0.9906     0.6782	C.3	1	noname	-0.0379
10	O3    -0.8986     1.7627    -2.3915	O.2	1	noname	-0.2956
11	C7     1.4446     1.8300    -2.5461	C.3	1	noname	0.0097
12	H1     2.6545    -1.2226    -1.6405	H	1	noname	0.2213
13	H2     1.5835     1.0334     0.9515	H	1	noname	0.0580
14	H3     1.2221    -1.6585    -0.4897	H	1	noname	0.0288
15	H4     1.5621    -1.3355     1.3390	H	1	noname	0.0288
16	H5    -0.9260     1.0635     0.9948	H	1	noname	0.0436
17	H6    -1.7330     0.2401    -0.5003	H	1	noname	0.0436
18	H7    -0.9398    -1.7459     0.0619	H	1	noname	0.0280
19	H8    -0.6018    -0.9882     1.7578	H	1	noname	0.0280
20	H9     2.2103     2.0507    -1.8024	H	1	noname	0.0324
21	H10     1.7728     0.9984    -3.1697	H	1	noname	0.0324
22	H11     1.2798     2.7087    -3.1697	H	1	noname	0.0324
@<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	5	8	1
8	6	9	1
9	7	10	2
10	7	11	1
11	8	9	1
12	3	12	1
13	4	13	1
14	6	14	1
15	6	15	1
16	8	16	1
17	8	17	1
18	9	18	1
19	9	19	1
20	11	20	1
21	11	21	1
22	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1