@<TRIPOS>MOLECULE
92135631
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9894     1.1566    -1.2590	S.3	1	noname	0.0000
2	O1     1.6369     4.2699    -3.5348	O.3	1	noname	0.0000
3	N1     0.1845     0.5158     0.6754	N.2	1	noname	0.0000
4	N2     2.6705    -3.0792     1.9486	N.2	1	noname	0.0000
5	N3     0.5068    -3.6570     1.1469	N.2	1	noname	0.0000
6	N4     3.1854    -0.8658     2.5643	N.3	1	noname	0.0000
7	C1     1.0670     1.0813    -0.0976	C.2	1	noname	0.0000
8	C2     0.6822     1.5555    -1.2785	C.2	1	noname	0.0000
9	C3     0.5581     0.0098     1.9074	C.3	1	noname	0.0000
10	C4     1.4492     2.2164    -2.2884	C.3	1	noname	0.0000
11	C5    -1.0286     0.4168     0.2879	C.2	1	noname	0.0000
12	C6     0.9809    -1.3767     1.7749	C.2	1	noname	0.0000
13	C7     2.4309     1.1908     0.3181	C.3	1	noname	0.0000
14	C8     0.8753     3.6136    -2.5320	C.3	1	noname	0.0000
15	C9     2.3056    -1.7664     2.1057	C.2	1	noname	0.0000
16	C10     0.0812    -2.3695     1.2915	C.2	1	noname	0.0000
17	C11     1.7870    -4.0169     1.4746	C.2	1	noname	0.0000
18	C12     2.2140    -5.4043     1.3190	C.3	1	noname	0.0000
19	H1    -0.2854     0.0683     2.5952	H	1	noname	0.0000
20	H2     1.4304     0.5486     2.2775	H	1	noname	0.0000
21	H3     1.4067     1.6399    -3.2124	H	1	noname	0.0000
22	H4     2.4852     2.3013    -1.9604	H	1	noname	0.0000
23	H5    -1.7988     0.0139     0.7619	H	1	noname	0.0000
24	H6     2.7158     2.2422     0.3561	H	1	noname	0.0000
25	H7     2.5460     0.7471     1.3070	H	1	noname	0.0000
26	H8     3.0703     0.6665    -0.3920	H	1	noname	0.0000
27	H9    -0.1608     3.5287    -2.8599	H	1	noname	0.0000
28	H10     0.9178     4.1901    -1.6079	H	1	noname	0.0000
29	H11    -0.8785    -2.1182     1.0542	H	1	noname	0.0000
30	H12     4.0341    -1.3022     2.7378	H	1	noname	0.0000
31	H13     2.8492    -0.4745     3.3857	H	1	noname	0.0000
32	H14     1.2692     5.1648    -3.6909	H	1	noname	0.0000
33	H15     2.5258    -5.7991     2.2860	H	1	noname	0.0000
34	H16     1.3853    -5.9986     0.9341	H	1	noname	0.0000
35	H17     3.0498    -5.4511     0.6209	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	8	1
2	1	11	1
3	2	14	1
4	2	32	1
5	3	7	1
6	3	9	1
7	3	11	2
8	4	15	2
9	4	17	1
10	5	16	1
11	5	17	2
12	6	15	1
13	6	30	1
14	6	31	1
15	7	8	2
16	7	13	1
17	8	10	1
18	9	12	1
19	9	19	1
20	9	20	1
21	10	14	1
22	10	21	1
23	10	22	1
24	11	23	1
25	12	15	1
26	12	16	2
27	13	24	1
28	13	25	1
29	13	26	1
30	14	27	1
31	14	28	1
32	16	29	1
33	17	18	1
34	18	33	1
35	18	34	1
36	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1