@<TRIPOS>MOLECULE
68604403
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3979    -2.5685     0.8734	O.3	1	noname	-0.3797
2	O2    -2.0588    -0.0082    -0.4774	O.3	1	noname	-0.2880
3	N1     3.0729     1.7477     0.2319	N.3	1	noname	-0.1578
4	C1     0.2501    -0.4904    -0.2174	C.2	1	noname	-0.0187
5	C2    -0.0248    -1.9208    -0.3175	C.3	1	noname	0.0740
6	C3     1.5541    -0.0442    -0.0371	C.2	1	noname	-0.0481
7	C4    -0.7923     0.4252    -0.3024	C.2	1	noname	-0.0245
8	C5     1.8158     1.3176     0.0581	C.2	1	noname	-0.0445
9	C6    -0.5306     1.7870    -0.2071	C.2	1	noname	-0.0323
10	C7     0.7735     2.2332    -0.0268	C.2	1	noname	-0.0588
11	C8     0.1305    -3.9597     0.7761	C.3	1	noname	0.0360
12	H1    -1.0947    -2.0764    -0.4556	H	1	noname	0.0618
13	H2     0.5155    -2.3360    -1.1682	H	1	noname	0.0618
14	H3     2.3190    -0.7161     0.0252	H	1	noname	0.0643
15	H4    -1.2955     2.4589    -0.2694	H	1	noname	0.0650
16	H5     0.9655     3.2325     0.0431	H	1	noname	0.0640
17	H6     3.6728     0.9864     0.2699	H	1	noname	0.1242
18	H7     3.1320     2.2476     1.0611	H	1	noname	0.1242
19	H8    -2.6649     0.7610    -0.5158	H	1	noname	0.2182
20	H9     0.4550    -4.4569     1.6903	H	1	noname	0.0529
21	H10    -0.9394    -4.1153     0.6380	H	1	noname	0.0529
22	H11     0.6709    -4.3749    -0.0747	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	5	1
2	1	11	1
3	2	7	1
4	2	19	1
5	3	8	1
6	3	17	1
7	3	18	1
8	4	5	1
9	4	6	1
10	4	7	2
11	5	12	1
12	5	13	1
13	6	8	2
14	6	14	1
15	7	9	1
16	8	10	1
17	9	10	2
18	9	15	1
19	10	16	1
20	11	20	1
21	11	21	1
22	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1