@<TRIPOS>MOLECULE
76958650
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     3.9992     0.9505    -0.2257	I	1	noname	-0.0425
2	N1    -0.9148    -1.8002    -0.7396	N.2	1	noname	-0.2611
3	N2     2.1779     3.5146    -0.1647	N.3	1	noname	-0.1487
4	N3    -1.4281    -3.6564    -1.8812	N.3	1	noname	-0.1340
5	N4    -2.3799    -3.2479     0.1376	N.3	1	noname	-0.1340
6	C1    -0.2142     0.1832     0.2278	C.2	1	noname	-0.0708
7	C2    -1.0619    -0.9974     0.3669	C.3	1	noname	0.0669
8	C3     1.1622     0.0391     0.0981	C.2	1	noname	-0.0310
9	C4    -0.7836     1.4512     0.2251	C.2	1	noname	-0.0524
10	C5     1.3999     2.4311    -0.0370	C.2	1	noname	-0.0124
11	C6     1.9692     1.1630    -0.0344	C.2	1	noname	-0.0354
12	C7     0.0235     2.5751     0.0927	C.2	1	noname	-0.0605
13	C8    -1.5683    -2.8915    -0.8269	C.2	1	noname	-0.1431
14	H1    -2.1034    -0.6884     0.4558	H	1	noname	0.0566
15	H2    -0.7698    -1.5513     1.2591	H	1	noname	0.0566
16	H3     1.5800    -0.8914     0.1000	H	1	noname	0.0637
17	H4    -1.7936     1.5569     0.3203	H	1	noname	0.0626
18	H5    -0.3944     3.5056     0.0907	H	1	noname	0.0639
19	H6     1.6265     4.3124    -0.1472	H	1	noname	0.1243
20	H7     2.6571     3.4711    -1.0069	H	1	noname	0.1243
21	H8    -1.9913    -4.4407    -1.7887	H	1	noname	0.1267
22	H9    -1.6880    -3.1634    -2.6751	H	1	noname	0.1267
23	H10    -2.7944    -4.0960    -0.0854	H	1	noname	0.1267
24	H11    -3.0665    -2.5718     0.2488	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	11	1
2	2	7	1
3	2	13	2
4	3	10	1
5	3	19	1
6	3	20	1
7	4	13	1
8	4	21	1
9	4	22	1
10	5	13	1
11	5	23	1
12	5	24	1
13	6	7	1
14	6	8	2
15	6	9	1
16	7	14	1
17	7	15	1
18	8	11	1
19	8	16	1
20	9	12	2
21	9	17	1
22	10	11	2
23	10	12	1
24	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1