@<TRIPOS>MOLECULE
76962741
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.1351     1.1627     1.9561	S.3	1	noname	-0.0774
2	N1     0.7304     0.2340     0.7211	N.3	1	noname	-0.0100
3	N2    -0.4581     1.2514    -0.7811	N.2	1	noname	-0.2350
4	C1     0.6502     0.7753    -1.4928	C.3	1	noname	0.0909
5	C2     1.3447    -0.1742    -0.4859	C.3	1	noname	0.0363
6	C3     0.2133     0.1349    -2.8200	C.2	1	noname	-0.0436
7	C4    -0.3392     0.8971     0.4383	C.2	1	noname	-0.0156
8	C5     1.0701     0.0755     2.0200	C.2	1	noname	-0.0758
9	C6    -0.4675     0.8922    -3.7661	C.2	1	noname	-0.0498
10	C7     0.4992    -1.2014    -3.0742	C.2	1	noname	-0.0498
11	C8     0.1900     0.5377     2.9224	C.2	1	noname	-0.0055
12	C9    -0.8626     0.3131    -4.9664	C.2	1	noname	-0.0586
13	C10     0.1041    -1.7805    -4.2745	C.2	1	noname	-0.0586
14	C11    -0.5768    -1.0232    -5.2206	C.2	1	noname	-0.0611
15	H1     1.3658     1.5892    -1.6796	H	1	noname	0.0617
16	H2     1.0649    -1.2045    -0.7057	H	1	noname	0.0465
17	H3     2.4337    -0.1318    -0.4652	H	1	noname	0.0465
18	H4     1.9190    -0.3564     2.2902	H	1	noname	0.0761
19	H5    -0.6773     1.8728    -3.5796	H	1	noname	0.0626
20	H6     0.9988    -1.7571    -2.3800	H	1	noname	0.0626
21	H7     0.2702     0.5280     3.9091	H	1	noname	0.0711
22	H8    -1.3623     0.8688    -5.6606	H	1	noname	0.0622
23	H9     0.3138    -2.7611    -4.4611	H	1	noname	0.0622
24	H10    -0.8667    -1.4482    -6.1014	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	7	1
2	1	11	1
3	2	5	1
4	2	7	1
5	2	8	1
6	3	4	1
7	3	7	2
8	4	5	1
9	4	6	1
10	4	15	1
11	5	16	1
12	5	17	1
13	6	9	2
14	6	10	1
15	8	11	2
16	8	18	1
17	9	12	1
18	9	19	1
19	10	13	2
20	10	20	1
21	11	21	1
22	12	14	2
23	12	22	1
24	13	14	1
25	13	23	1
26	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1