@<TRIPOS>MOLECULE
DB07001
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2677    -0.1579     0.7186	S.3	1	noname	-0.2266
2	C1     0.7163    -0.3009    -0.0891	C.2	1	noname	0.0545
3	C2     2.2170     1.5589     1.1143	C.2	1	noname	0.0232
4	C3     0.1132    -1.4962    -0.6877	C.2	1	noname	-0.0398
5	C4     0.1508     0.9812     0.0035	C.2	1	noname	0.0496
6	C5     0.9650     1.9591     0.6204	C.2	1	noname	0.0263
7	N1     0.6546    -2.2123    -1.5931	N.2	1	noname	-0.2635
8	N2    -1.2230    -1.7511    -0.0840	N.3	1	noname	-0.1155
9	O1    -1.0805     1.3202    -0.5051	O.3	1	noname	-0.2631
10	C6    -2.2980    -0.8439    -0.5486	C.3	1	noname	0.0367
11	C7    -2.2007     0.5809     0.0461	C.3	1	noname	0.0692
12	C8    -3.6604    -1.4486    -0.2034	C.3	1	noname	-0.0354
13	C9    -3.8053    -2.8064    -0.8934	C.3	1	noname	-0.0546
14	C10    -5.1676    -3.4112    -0.5482	C.3	1	noname	-0.0653
15	H1     2.8744     2.2793     1.6011	H	1	noname	0.0740
16	H2     0.6362     2.9942     0.7128	H	1	noname	0.0659
17	H3     0.5231    -3.1892    -1.3731	H	1	noname	0.1888
18	H4    -1.3878    -2.4848     0.5904	H	1	noname	0.1300
19	H5    -2.1523    -0.7769    -1.6267	H	1	noname	0.0493
20	H6    -1.9771     0.4769     1.1079	H	1	noname	0.0588
21	H7    -3.0871     1.1291    -0.2730	H	1	noname	0.0588
22	H8    -3.6570    -1.6398     0.8697	H	1	noname	0.0283
23	H9    -4.4150    -0.7928    -0.6377	H	1	noname	0.0283
24	H10    -3.8087    -2.6153    -1.9665	H	1	noname	0.0264
25	H11    -3.0507    -3.4622    -0.4591	H	1	noname	0.0264
26	H12    -5.2792    -3.4607     0.5349	H	1	noname	0.0230
27	H13    -5.9582    -2.7884    -0.9668	H	1	noname	0.0230
28	H14    -5.2360    -4.4153    -0.9668	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	4	7	2
7	4	8	1
8	5	9	1
9	5	6	1
10	8	10	1
11	9	11	1
12	10	12	1
13	10	11	1
14	12	13	1
15	13	14	1
16	3	15	1
17	6	16	1
18	7	17	1
19	8	18	1
20	10	19	1
21	11	20	1
22	11	21	1
23	12	22	1
24	12	23	1
25	13	24	1
26	13	25	1
27	14	26	1
28	14	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1