@<TRIPOS>MOLECULE
68159338
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1167     1.5644     3.0678	O.3	1	noname	-0.2859
2	O2    -1.9110    -3.6242    -1.6579	O.3	1	noname	-0.2152
3	O3    -3.2906    -1.9393    -1.1082	O.2	1	noname	-0.2545
4	N1    -0.4775    -2.8839     0.5335	N.3	1	noname	-0.1357
5	C1     0.0861    -0.0523     0.6649	C.2	1	noname	-0.0551
6	C2     1.3629    -0.6594     0.7191	C.2	1	noname	-0.0368
7	C3    -0.1290     1.1494     1.3766	C.2	1	noname	-0.0368
8	C4    -0.9591    -0.6523    -0.0278	C.2	1	noname	-0.0100
9	C5     2.3612    -0.1572     1.5784	C.2	1	noname	-0.0284
10	C6     0.8891     1.6980     2.1784	C.2	1	noname	-0.0284
11	C7     2.1343     1.0356     2.2930	C.2	1	noname	0.0020
12	C8    -1.1856    -1.9805    -0.1311	C.2	1	noname	-0.0165
13	C9    -2.1703    -2.4861    -0.9519	C.2	1	noname	0.0920
14	H1     1.5742    -1.4751     0.1344	H	1	noname	0.0629
15	H2    -1.0445     1.6065     1.3300	H	1	noname	0.0629
16	H3    -1.6064    -0.0380    -0.4537	H	1	noname	0.0647
17	H4     3.2532    -0.6677     1.7248	H	1	noname	0.0650
18	H5     0.7183     2.5935     2.6397	H	1	noname	0.0650
19	H6     0.1672    -2.5933     1.2195	H	1	noname	0.1244
20	H7    -1.0745    -3.5483     0.9118	H	1	noname	0.1244
21	H8     2.7925     2.3873     3.4899	H	1	noname	0.2181
22	H9    -2.5568    -3.9610    -2.3160	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	11	1
2	1	21	1
3	2	13	1
4	2	22	1
5	3	13	2
6	4	12	1
7	4	19	1
8	4	20	1
9	5	6	2
10	5	7	1
11	5	8	1
12	6	9	1
13	6	14	1
14	7	10	2
15	7	15	1
16	8	12	2
17	8	16	1
18	9	11	2
19	9	17	1
20	10	11	1
21	10	18	1
22	12	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1