@<TRIPOS>MOLECULE
76966389
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.7025    -1.9886     0.6680	N.3	1	noname	-0.3169
2	C1    -1.7303    -0.9506     1.0069	C.3	1	noname	0.0077
3	C2    -1.7790     0.1574    -0.0471	C.3	1	noname	0.0145
4	C3    -0.8081     1.1939     0.2913	C.2	1	noname	-0.0568
5	C4    -0.3268    -1.5587     1.0431	C.3	1	noname	-0.0494
6	C5     0.4928     1.1119    -0.1914	C.2	1	noname	-0.0634
7	C6    -1.1847     2.2628     1.0961	C.2	1	noname	-0.0634
8	C7    -4.0437    -1.4076     0.6334	C.3	1	noname	-0.0161
9	C8     1.4172     2.0987     0.1308	C.2	1	noname	-0.0629
10	C9    -0.2604     3.2497     1.4183	C.2	1	noname	-0.0629
11	C10     1.0406     3.1677     0.9356	C.2	1	noname	-0.0682
12	H1    -1.9707    -0.5329     1.9845	H	1	noname	0.0465
13	H2    -2.7789     0.5906    -0.0729	H	1	noname	0.0332
14	H3    -1.5387    -0.2604    -1.0248	H	1	noname	0.0332
15	H4     0.3980    -0.7849     1.2957	H	1	noname	0.0246
16	H5    -0.2921    -2.3481     1.7940	H	1	noname	0.0246
17	H6    -0.0865    -1.9764     0.0654	H	1	noname	0.0246
18	H7    -2.6700    -2.7288     1.3720	H	1	noname	0.1221
19	H8     0.7692     0.3275    -0.7819	H	1	noname	0.0625
20	H9    -2.1393     2.3230     1.4503	H	1	noname	0.0625
21	H10    -4.7685    -2.1814     0.3808	H	1	noname	0.0391
22	H11    -4.2840    -0.9899     1.6111	H	1	noname	0.0391
23	H12    -4.0784    -0.6182    -0.1175	H	1	noname	0.0391
24	H13     2.3718     2.0385    -0.2234	H	1	noname	0.0622
25	H14    -0.5367     4.0341     2.0089	H	1	noname	0.0622
26	H15     1.7189     3.8918     1.1720	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	8	1
3	1	18	1
4	2	3	1
5	2	5	1
6	2	12	1
7	3	4	1
8	3	13	1
9	3	14	1
10	4	6	2
11	4	7	1
12	5	15	1
13	5	16	1
14	5	17	1
15	6	9	1
16	6	19	1
17	7	10	2
18	7	20	1
19	8	21	1
20	8	22	1
21	8	23	1
22	9	11	2
23	9	24	1
24	10	11	1
25	10	25	1
26	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1