@<TRIPOS>MOLECULE
117587646
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.3470     4.4984    -0.1606	S.3	1	noname	-0.1076
2	O1    -0.7048     1.0846     2.9901	O.3	1	noname	-0.2785
3	O2     0.0118     2.7981    -2.1655	O.3	1	noname	-0.2742
4	N1    -1.7750    -2.8212     1.1936	N.3	1	noname	-0.3276
5	C1    -1.8933    -0.3944     0.9357	C.3	1	noname	0.0274
6	C2    -0.9815    -1.6229     0.9251	C.3	1	noname	0.0053
7	C3    -1.1009     0.8021     0.6676	C.2	1	noname	-0.0178
8	C4    -0.5282     1.5067     1.7200	C.2	1	noname	-0.0112
9	C5    -0.9191     1.2368    -0.6402	C.2	1	noname	-0.0187
10	C6     0.0925    -1.4702     2.0041	C.3	1	noname	-0.0497
11	C7    -0.1647     2.3760    -0.8954	C.2	1	noname	0.0040
12	C8     0.2262     2.6459     1.4648	C.2	1	noname	-0.0037
13	C9     0.4080     3.0805     0.1570	C.2	1	noname	0.0005
14	C10    -1.8699     1.6889     3.5321	C.3	1	noname	0.0423
15	C11    -1.0295     3.6984    -2.5142	C.3	1	noname	0.0423
16	C12     3.0711     4.0365    -0.3934	C.3	1	noname	-0.0135
17	H1    -2.6585    -0.5033     0.1670	H	1	noname	0.0332
18	H2    -2.3694    -0.3037     1.9120	H	1	noname	0.0332
19	H3    -0.5053    -1.7137    -0.0512	H	1	noname	0.0462
20	H4    -1.3394     0.7197    -1.4125	H	1	noname	0.0654
21	H5     0.6841    -0.5768     1.8039	H	1	noname	0.0246
22	H6    -0.3836    -1.3794     2.9804	H	1	noname	0.0246
23	H7     0.7422    -2.3454     1.9966	H	1	noname	0.0246
24	H8     0.6465     3.1629     2.2371	H	1	noname	0.0662
25	H9    -2.4924    -2.9232     0.4729	H	1	noname	0.1186
26	H10    -2.2214    -2.7361     2.1090	H	1	noname	0.1186
27	H11    -2.0124     1.3481     4.5576	H	1	noname	0.0535
28	H12    -2.7364     1.4096     2.9327	H	1	noname	0.0535
29	H13    -1.7552     2.7728     3.5221	H	1	noname	0.0535
30	H14    -0.8870     4.0392    -3.5397	H	1	noname	0.0535
31	H15    -1.9910     3.1919    -2.4299	H	1	noname	0.0535
32	H16    -1.0098     4.5550    -1.8405	H	1	noname	0.0535
33	H17     3.6627     4.9299    -0.5935	H	1	noname	0.0347
34	H18     3.1528     3.3503    -1.2363	H	1	noname	0.0347
35	H19     3.4418     3.5498     0.5087	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