@<TRIPOS>MOLECULE
117587537
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.2311     4.2247     4.1196	S.3	1	noname	-0.1076
2	O1    -2.6575     0.0590     3.8141	O.3	1	noname	-0.2785
3	O2     0.7331     3.5493     1.2938	O.3	1	noname	-0.2742
4	N1    -1.6799    -2.7470     0.5280	N.3	1	noname	-0.3276
5	C1    -2.0523    -0.4069     1.1238	C.3	1	noname	0.0274
6	C2    -1.1207    -1.6127     1.2616	C.3	1	noname	0.0053
7	C3    -1.4939     0.7258     1.8564	C.2	1	noname	-0.0178
8	C4    -1.8223     0.9188     3.1932	C.2	1	noname	-0.0112
9	C5    -0.6339     1.6111     1.2171	C.2	1	noname	-0.0187
10	C6     0.2543    -1.2630     0.6891	C.3	1	noname	-0.0497
11	C7    -0.1022     2.6895     1.9146	C.2	1	noname	0.0040
12	C8    -1.2906     1.9972     3.8907	C.2	1	noname	-0.0037
13	C9    -0.4306     2.8826     3.2514	C.2	1	noname	0.0005
14	C10    -3.9961     0.5094     3.6663	C.3	1	noname	0.0423
15	C11    -0.0198     4.6027     0.7106	C.3	1	noname	0.0423
16	C12     1.7861     3.7371     4.8839	C.3	1	noname	-0.0135
17	H1    -3.0319    -0.6561     1.5317	H	1	noname	0.0332
18	H2    -2.1533    -0.1443     0.0707	H	1	noname	0.0332
19	H3    -1.0197    -1.8753     2.3147	H	1	noname	0.0462
20	H4    -0.3929     1.4694     0.2362	H	1	noname	0.0654
21	H5     0.6712    -0.4173     1.2360	H	1	noname	0.0246
22	H6     0.9180    -2.1220     0.7873	H	1	noname	0.0246
23	H7     0.1533    -1.0004    -0.3640	H	1	noname	0.0246
24	H8    -1.5315     2.1389     4.8717	H	1	noname	0.0662
25	H9    -2.5984    -2.9806     0.9104	H	1	noname	0.1186
26	H10    -1.7746    -2.5008    -0.4594	H	1	noname	0.1186
27	H11    -4.6705    -0.1848     4.1676	H	1	noname	0.0535
28	H12    -4.2477     0.5594     2.6070	H	1	noname	0.0535
29	H13    -4.0974     1.4994     4.1110	H	1	noname	0.0535
30	H14     0.6546     5.2969     0.2093	H	1	noname	0.0535
31	H15    -0.7211     4.1899    -0.0145	H	1	noname	0.0535
32	H16    -0.5707     5.1299     1.4895	H	1	noname	0.0535
33	H17     2.2030     4.5827     5.4308	H	1	noname	0.0347
34	H18     1.6092     2.9107     5.5723	H	1	noname	0.0347
35	H19     2.4878     3.4225     4.1113	H	1	noname	0.0347
@<TRIPOS>BOND
1	1	13	1
2	1	16	1
3	2	8	1
4	2	14	1
5	3	11	1
6	3	15	1
7	6	4	1
8	4	25	1
9	4	26	1
10	5	6	1
11	5	7	1
12	5	17	1
13	5	18	1
14	6	10	1
15	6	19	1
16	7	8	1
17	7	9	2
18	8	12	2
19	9	11	1
20	9	20	1
21	10	21	1
22	10	22	1
23	10	23	1
24	11	13	2
25	12	13	1
26	12	24	1
27	14	27	1
28	14	28	1
29	14	29	1
30	15	30	1
31	15	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1