@<TRIPOS>MOLECULE
67821499
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2829     2.8812    -0.4803	O.3	1	noname	-0.3701
2	N1     0.8531     0.6673     1.1338	N.3	1	noname	-0.2933
3	N2     0.2198    -0.5272    -1.6134	N.3	1	noname	-0.3130
4	C1     1.7927     0.6773    -0.0244	C.3	1	noname	0.0539
5	C2     0.9834     0.6982    -1.3098	C.3	1	noname	0.0525
6	C3     2.4034     2.0832     0.0119	C.3	1	noname	0.0764
7	C4     0.2274     1.9036    -0.7351	C.3	1	noname	0.0876
8	C5    -0.3576     1.3927     0.6146	C.3	1	noname	0.0267
9	C6     2.6879     2.2668     1.4994	C.3	1	noname	-0.0122
10	C7     1.5640     1.4470     2.1797	C.3	1	noname	0.0013
11	C8    -0.5015    -0.3524    -2.8730	C.3	1	noname	-0.0160
12	H1     2.5588    -0.0828     0.1288	H	1	noname	0.0511
13	H2     1.6226     0.9591    -2.1533	H	1	noname	0.0509
14	H3     3.2560     2.1893    -0.6587	H	1	noname	0.0620
15	H4    -0.5536     2.3295    -1.3651	H	1	noname	0.0633
16	H5    -1.1540     0.6752     0.4170	H	1	noname	0.0458
17	H6    -0.7048     2.2065     1.2512	H	1	noname	0.0458
18	H7     2.5803     3.3190     1.7627	H	1	noname	0.0306
19	H8     3.6574     1.8325     1.7434	H	1	noname	0.0306
20	H9     0.8632     2.1253     2.6665	H	1	noname	0.0431
21	H10     2.0587     0.7961     2.9006	H	1	noname	0.0431
22	H11     0.8625    -1.3175    -1.6958	H	1	noname	0.1223
23	H12    -1.0657    -1.2577    -3.0973	H	1	noname	0.0391
24	H13    -1.1871     0.4905    -2.7852	H	1	noname	0.0391
25	H14     0.2103    -0.1597    -3.6757	H	1	noname	0.0391
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	4	1
4	2	8	1
5	2	10	1
6	5	3	1
7	3	11	1
8	3	22	1
9	4	5	1
10	4	6	1
11	4	12	1
12	5	7	1
13	5	13	1
14	6	9	1
15	6	14	1
16	7	8	1
17	7	15	1
18	8	16	1
19	8	17	1
20	9	10	1
21	9	18	1
22	9	19	1
23	10	20	1
24	10	21	1
25	11	23	1
26	11	24	1
27	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1