@<TRIPOS>MOLECULE
50028961
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.0010     0.0003     0.0000	N.3	1	noname	-0.0655
2	C1    -0.7815    -1.0875     0.0000	C.2	1	noname	-0.0254
3	C2     1.3402    -0.0001     0.0000	C.2	1	noname	-0.1059
4	C3    -0.4249     1.2687    -0.0000	C.2	1	noname	-0.1059
5	C4    -2.1646    -0.9488     0.0000	C.2	1	noname	-0.0591
6	C5    -0.2101    -2.3546     0.0000	C.2	1	noname	-0.0591
7	C6     1.7865     1.3104    -0.0000	C.2	1	noname	-0.0488
8	C7     0.6641     2.1257    -0.0000	C.2	1	noname	-0.0488
9	C8    -2.9762    -2.0772     0.0000	C.2	1	noname	-0.0629
10	C9    -1.0218    -3.4830     0.0000	C.2	1	noname	-0.0629
11	C10    -2.4049    -3.3443     0.0000	C.2	1	noname	-0.0887
12	H1     1.9539    -0.9009     0.0000	H	1	noname	0.0795
13	H2    -1.4768     1.5543     0.0000	H	1	noname	0.0795
14	H3    -2.6126     0.0449     0.0000	H	1	noname	0.0642
15	H4     0.8744    -2.4634     0.0000	H	1	noname	0.0642
16	H5     2.8259     1.6385     0.0000	H	1	noname	0.0636
17	H6     0.6424     3.2155    -0.0000	H	1	noname	0.0636
18	H7    -4.0608    -1.9684     0.0000	H	1	noname	0.0623
19	H8    -0.5737    -4.4767     0.0000	H	1	noname	0.0623
20	H9    -3.0413    -4.2292     0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	2	5	2
5	2	6	1
6	3	7	2
7	4	8	2
8	5	9	1
9	6	10	2
10	7	8	1
11	9	11	2
12	10	11	1
13	3	12	1
14	4	13	1
15	5	14	1
16	6	15	1
17	7	16	1
18	8	17	1
19	9	18	1
20	10	19	1
21	11	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1