@<TRIPOS>MOLECULE
DB04501
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1    -0.2887    -0.1172     0.4237	C.3	1	noname	-0.0271
2	C2     0.8692    -0.4057     1.3857	C.3	1	noname	-0.0271
3	C3    -0.4863     1.4164     0.5654	C.3	1	noname	-0.0470
4	C4     0.3315    -0.5282    -0.9532	C.3	1	noname	-0.0470
5	C5    -1.5147    -0.9371     0.8587	C.3	1	noname	-0.0591
6	C6     1.7918     0.5479     0.6491	C.3	1	noname	-0.0357
7	C7     1.3541    -1.8427     1.1836	C.3	1	noname	-0.0591
8	C8     0.5686    -0.0455     2.8420	C.3	1	noname	-0.0591
9	C9     0.9843     1.8772     0.7902	C.3	1	noname	-0.0494
10	C10     1.7934    -0.0114    -0.8048	C.3	1	noname	-0.0494
11	H1    -0.8333     1.8113    -0.3894	H	1	noname	0.0272
12	H2    -1.0553     1.6104     1.4747	H	1	noname	0.0272
13	H3     0.3563    -1.6164    -1.0102	H	1	noname	0.0272
14	H4    -0.1580     0.0477    -1.7385	H	1	noname	0.0272
15	H5    -1.5627    -0.9692     1.9471	H	1	noname	0.0236
16	H6    -2.4199    -0.4718     0.4686	H	1	noname	0.0236
17	H7    -1.4304    -1.9514     0.4686	H	1	noname	0.0236
18	H8     2.8207     0.6571     0.9921	H	1	noname	0.0308
19	H9     1.5127    -2.3125     2.1543	H	1	noname	0.0236
20	H10     0.6043    -2.4042     0.6263	H	1	noname	0.0236
21	H11     2.2909    -1.8350     0.6263	H	1	noname	0.0236
22	H12     0.4482    -0.9587     3.4247	H	1	noname	0.0236
23	H13     1.3932     0.5395     3.2492	H	1	noname	0.0236
24	H14    -0.3500     0.5395     2.8894	H	1	noname	0.0236
25	H15     1.2633     2.5340    -0.0337	H	1	noname	0.0270
26	H16     1.0771     2.2243     1.8193	H	1	noname	0.0270
27	H17     2.4658    -0.8686    -0.8421	H	1	noname	0.0270
28	H18     1.9343     0.8220    -1.4930	H	1	noname	0.0270
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	1	5	1
5	2	6	1
6	2	7	1
7	2	8	1
8	3	9	1
9	4	10	1
10	6	9	1
11	6	10	1
12	3	11	1
13	3	12	1
14	4	13	1
15	4	14	1
16	5	15	1
17	5	16	1
18	5	17	1
19	6	18	1
20	7	19	1
21	7	20	1
22	7	21	1
23	8	22	1
24	8	23	1
25	8	24	1
26	9	25	1
27	9	26	1
28	10	27	1
29	10	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1