@<TRIPOS>MOLECULE
DB00830
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3358    -1.5325    -1.1120	O.3	1	noname	-0.3704
2	C1    -0.3531    -1.2445    -0.0578	C.3	1	noname	0.0976
3	C2    -1.0130    -1.4405    -2.5235	C.3	1	noname	0.0601
4	C3    -1.0802    -0.6175     1.0935	C.2	1	noname	-0.0417
5	C4     0.8806    -0.4156    -0.5935	C.3	1	noname	0.0346
6	C5    -0.2596    -0.0982    -2.8133	C.3	1	noname	0.0192
7	C6    -1.1954     0.8189     1.2799	C.2	1	noname	-0.0485
8	C7    -1.6453    -1.5158     2.0684	C.2	1	noname	-0.0485
9	N1     0.3312     0.5359    -1.5925	N.3	1	noname	-0.3090
10	C8     1.8704    -1.3597    -1.2789	C.3	1	noname	-0.0469
11	C9    -1.8075     1.3515     2.4666	C.2	1	noname	-0.0582
12	C10    -2.2652    -0.9939     3.2398	C.2	1	noname	-0.0582
13	C11    -2.3164     0.4250     3.4203	C.2	1	noname	-0.0610
14	H1     0.0355    -2.1979     0.3001	H	1	noname	0.0671
15	H2    -0.3228    -2.2621    -2.7151	H	1	noname	0.0580
16	H3    -1.9739    -1.4048    -3.0368	H	1	noname	0.0580
17	H4     1.4143     0.1372     0.1796	H	1	noname	0.0492
18	H5     0.5943    -0.3476    -3.4431	H	1	noname	0.0451
19	H6    -1.0080     0.6116    -3.1658	H	1	noname	0.0451
20	H7    -0.8184     1.5046     0.5211	H	1	noname	0.0626
21	H8    -1.6037    -2.5947     1.9190	H	1	noname	0.0626
22	H9     0.3574     1.5358    -1.4526	H	1	noname	0.1226
23	H10     2.4386    -1.9016    -0.5228	H	1	noname	0.0247
24	H11     1.3247    -2.0691    -1.9010	H	1	noname	0.0247
25	H12     2.5532    -0.7810    -1.9010	H	1	noname	0.0247
26	H13    -1.8834     2.4253     2.6379	H	1	noname	0.0622
27	H14    -2.6919    -1.6670     3.9834	H	1	noname	0.0622
28	H15    -2.7662     0.8204     4.3311	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	9	1
11	7	11	1
12	8	12	2
13	11	13	2
14	12	13	1
15	2	14	1
16	3	15	1
17	3	16	1
18	5	17	1
19	6	18	1
20	6	19	1
21	7	20	1
22	8	21	1
23	9	22	1
24	10	23	1
25	10	24	1
26	10	25	1
27	11	26	1
28	12	27	1
29	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1