@<TRIPOS>MOLECULE
72941769
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5701     1.5862     0.4653	O.3	1	noname	-0.2804
2	N1     0.2899     0.0404    -0.0869	N.2	1	noname	-0.2641
3	C1     1.6453     0.1369     0.1831	C.2	1	noname	0.0221
4	C2     2.4402    -1.0609     0.4382	C.3	1	noname	0.0480
5	C3     2.2534     1.4371     0.2073	C.2	1	noname	0.0097
6	C4    -0.5409     1.1196    -0.3402	C.2	1	noname	-0.0192
7	C5     2.3801    -1.9822    -0.7818	C.3	1	noname	-0.0597
8	C6     1.4183     2.5697    -0.0511	C.2	1	noname	-0.0196
9	C7     0.0204     2.4408    -0.3273	C.2	1	noname	-0.0376
10	C8    -1.9604     0.9171    -0.6152	C.3	1	noname	0.0284
11	H1     2.0414    -1.5831     1.3079	H	1	noname	0.0330
12	H2     3.4752    -0.7765     0.6281	H	1	noname	0.0330
13	H3     2.9735    -2.8765    -0.5914	H	1	noname	0.0234
14	H4     1.3451    -2.2666    -0.9717	H	1	noname	0.0234
15	H5     2.7788    -1.4600    -1.6515	H	1	noname	0.0234
16	H6     1.8338     3.5011    -0.0379	H	1	noname	0.0651
17	H7    -0.5584     3.2608    -0.5090	H	1	noname	0.0642
18	H8    -2.4293     0.4264     0.2377	H	1	noname	0.0295
19	H9    -2.4383     1.8815    -0.7874	H	1	noname	0.0295
20	H10    -2.0734     0.2923    -1.5011	H	1	noname	0.0295
21	H11     3.8024     2.5379     0.4394	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	5	1
2	1	21	1
3	2	3	1
4	2	6	2
5	3	4	1
6	3	5	2
7	4	7	1
8	4	11	1
9	4	12	1
10	5	8	1
11	6	9	1
12	6	10	1
13	7	13	1
14	7	14	1
15	7	15	1
16	8	9	2
17	8	16	1
18	9	17	1
19	10	18	1
20	10	19	1
21	10	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1