@<TRIPOS>MOLECULE
76964601
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2808     1.7397     1.1842	O.3	1	noname	-0.3905
2	O2    -0.2982    -1.7414    -2.1726	O.3	1	noname	-0.2111
3	O3    -0.5046     0.4454    -2.6704	O.2	1	noname	-0.2459
4	N1     0.9337    -0.4917     0.1824	N.2	1	noname	-0.2757
5	C1    -0.3686     1.3864    -0.1883	C.3	1	noname	0.0832
6	C2    -0.2706    -0.0639    -0.3249	C.3	1	noname	0.1602
7	C3    -1.7087     1.8624    -0.7527	C.3	1	noname	-0.0363
8	C4    -0.3653    -0.4445    -1.8037	C.2	1	noname	0.1490
9	C5     0.9592    -1.3191     1.1520	C.2	1	noname	-0.0086
10	C6     2.2117    -1.7640     1.6795	C.3	1	noname	-0.0297
11	H1     0.4455     1.8589    -0.7379	H	1	noname	0.0625
12	H2    -1.0847    -0.5364     0.2247	H	1	noname	0.0688
13	H3    -1.7761     1.5913    -1.8063	H	1	noname	0.0257
14	H4    -2.5228     1.3899    -0.2031	H	1	noname	0.0257
15	H5    -1.7818     2.9452    -0.6508	H	1	noname	0.0257
16	H6    -0.3466     2.7131     1.2758	H	1	noname	0.2105
17	H7     0.1120    -1.6536     1.5398	H	1	noname	0.0783
18	H8     2.2791    -1.4928     2.7331	H	1	noname	0.0289
19	H9     2.2849    -2.8468     1.5776	H	1	noname	0.0289
20	H10     3.0259    -1.2915     1.1299	H	1	noname	0.0289
21	H11     0.0743    -1.9838    -3.0460	H	1	noname	0.2213
@<TRIPOS>BOND
1	5	1	1
2	1	16	1
3	2	8	1
4	2	21	1
5	3	8	2
6	6	4	1
7	4	9	2
8	5	6	1
9	5	7	1
10	5	11	1
11	6	8	1
12	6	12	1
13	7	13	1
14	7	14	1
15	7	15	1
16	9	10	1
17	9	17	1
18	10	18	1
19	10	19	1
20	10	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1