@<TRIPOS>MOLECULE
60940-34-3
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0726     2.0087     1.1215	O.2	1	noname	-0.2689
2	C1    -0.4781     0.8403     0.9080	C.2	1	noname	0.1102
3	N1    -0.0689     0.0841    -0.1405	N.3	1	noname	-0.0979
4	Se1    -0.7796    -1.6311    -0.2110	Se	1	noname	-0.0551
5	C2    -1.6945    -1.0987     1.3629	C.2	1	noname	0.0280
6	C3    -2.5934    -1.8926     2.0984	C.2	1	noname	-0.0134
7	C4    -3.1846    -1.3577     3.2611	C.2	1	noname	-0.0283
8	C5    -2.8743    -0.0450     3.6718	C.2	1	noname	-0.0383
9	C6    -1.9752     0.7424     2.9240	C.2	1	noname	-0.0017
10	C7    -1.3848     0.2061     1.7594	C.2	1	noname	0.0210
11	C8     0.8001     0.5064    -1.1030	C.2	1	noname	-0.0139
12	C9     0.5048     1.6407    -1.8945	C.2	1	noname	-0.0251
13	C10     1.4182     2.0982    -2.8621	C.2	1	noname	-0.0512
14	C11     2.6341     1.4179    -3.0549	C.2	1	noname	-0.0547
15	C12     2.9359     0.2816    -2.2827	C.2	1	noname	-0.0512
16	C13     2.0208    -0.1751    -1.3158	C.2	1	noname	-0.0251
17	H1    -2.8280    -2.9060     1.7727	H	1	noname	0.0635
18	H2    -3.8823    -1.9596     3.8432	H	1	noname	0.0623
19	H3    -3.3321     0.3635     4.5727	H	1	noname	0.0622
20	H4    -1.7385     1.7572     3.2436	H	1	noname	0.0631
21	H5    -0.4387     2.1689    -1.7571	H	1	noname	0.0639
22	H6     1.1842     2.9782    -3.4613	H	1	noname	0.0623
23	H7     3.3431     1.7716    -3.8035	H	1	noname	0.0622
24	H8     3.8784    -0.2447    -2.4335	H	1	noname	0.0623
25	H9     2.2588    -1.0618    -0.7282	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	ar
6	6	7	ar
7	7	8	ar
8	8	9	ar
9	9	10	ar
10	2	10	1
11	5	10	ar
12	3	11	1
13	11	12	ar
14	12	13	ar
15	13	14	ar
16	14	15	ar
17	15	16	ar
18	11	16	ar
19	6	17	1
20	7	18	1
21	8	19	1
22	9	20	1
23	12	21	1
24	13	22	1
25	14	23	1
26	15	24	1
27	16	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1