@<TRIPOS>MOLECULE
76967489
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8046     0.6060     2.1461	O.2	1	noname	-0.2838
2	O2     1.4677     3.5821    -1.2556	O.3	1	noname	-0.8216
3	O3    -1.7455     0.3807    -1.0631	O.2	1	noname	-0.2506
4	N1     0.0233     0.2001     0.5726	N.3	1	noname	0.1025
5	N2    -0.1401     2.0690    -0.9969	N.2	1	noname	-0.1675
6	C1     2.0880     1.6125    -0.0932	C.3	1	noname	0.0785
7	C2     2.7666     0.6638    -1.0834	C.3	1	noname	-0.0378
8	C3     3.2625     2.4306     0.4473	C.3	1	noname	-0.0378
9	C4     1.3386     0.7781     0.9990	C.2	1	noname	0.0953
10	C5     1.0847     2.4073    -0.7914	C.2	1	noname	-0.0459
11	C6     2.7488     3.4464     1.4696	C.3	1	noname	-0.0640
12	C7     1.7136    -0.2416    -1.7256	C.3	1	noname	-0.0640
13	C8    -0.7099     0.8630    -0.5557	C.2	1	noname	0.1053
14	H1     3.2675     1.2445    -1.8579	H	1	noname	0.0278
15	H2     3.4992     0.0522    -0.5568	H	1	noname	0.0278
16	H3     3.7480     2.9563    -0.3749	H	1	noname	0.0278
17	H4     3.9797     1.7640     0.9263	H	1	noname	0.0278
18	H5     2.1971    -0.9175    -2.4310	H	1	noname	0.0231
19	H6     0.9810     0.3700    -2.2522	H	1	noname	0.0231
20	H7     3.5855     4.0292     1.8547	H	1	noname	0.0231
21	H8     2.0316     4.1130     0.9906	H	1	noname	0.0231
22	H9     2.2633     2.9207     2.2918	H	1	noname	0.0231
23	H10     1.2127    -0.8223    -0.9511	H	1	noname	0.0231
24	H11    -0.3440    -0.5815     1.0143	H	1	noname	0.1420
@<TRIPOS>BOND
1	1	9	2
2	2	10	1
3	3	13	2
4	4	9	1
5	4	13	1
6	4	24	1
7	5	10	2
8	5	13	1
9	6	7	1
10	6	8	1
11	6	9	1
12	6	10	1
13	7	12	1
14	7	14	1
15	7	15	1
16	8	11	1
17	8	16	1
18	8	17	1
19	11	20	1
20	11	21	1
21	11	22	1
22	12	18	1
23	12	19	1
24	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1