@<TRIPOS>MOLECULE
109374244
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.7685     1.9488     2.3033	S	1	noname	-0.0634
2	O1     0.0888     2.2821     3.8396	O.3	1	noname	-0.1415
3	O2     1.9524     3.0068     2.0474	O.2	1	noname	-0.1621
4	O3     1.4372     0.4864     2.4065	O.2	1	noname	-0.1621
5	N1    -0.5789     2.1493     1.1149	N.3	1	noname	0.0442
6	C1    -1.0082     0.8592     0.4552	C.3	1	noname	0.0299
7	C2    -0.5560     3.4575     0.3168	C.3	1	noname	0.0299
8	C3     0.0104     0.3646    -0.6416	C.3	1	noname	-0.0361
9	C4    -1.4974    -0.1992     1.5192	C.3	1	noname	-0.0361
10	C5    -0.3054     4.7606     1.2029	C.3	1	noname	-0.0361
11	C6    -1.7014     3.6802    -0.7655	C.3	1	noname	-0.0361
12	C7    -2.0383     5.1569    -1.0937	C.3	1	noname	-0.0517
13	C8    -1.5378     5.6601     1.4016	C.3	1	noname	-0.0517
14	C9    -1.2200    -1.6577     1.0881	C.3	1	noname	-0.0517
15	C10     0.8880    -0.8531    -0.2904	C.3	1	noname	-0.0517
16	C11    -2.3182     6.0565     0.1191	C.3	1	noname	-0.0532
17	C12     0.2273    -1.9324     0.5888	C.3	1	noname	-0.0532
18	H1    -1.9308     1.0481    -0.0946	H	1	noname	0.0482
19	H2     0.3485     3.3643    -0.2857	H	1	noname	0.0482
20	H3    -2.6284     3.1951    -0.4739	H	1	noname	0.0283
21	H4    -1.3875     3.2502    -1.7151	H	1	noname	0.0283
22	H5    -0.0031     4.5141     2.2130	H	1	noname	0.0283
23	H6     0.5216     5.3475     0.7839	H	1	noname	0.0283
24	H7    -2.5653    -0.0619     1.7137	H	1	noname	0.0283
25	H8    -1.0259    -0.0628     2.4883	H	1	noname	0.0283
26	H9    -0.5326     0.0955    -1.5490	H	1	noname	0.0283
27	H10     0.7000     1.1587    -0.9192	H	1	noname	0.0283
28	H11    -1.9402    -1.9585     0.3276	H	1	noname	0.0267
29	H12    -1.3577    -2.2754     1.9672	H	1	noname	0.0267
30	H13     1.8055    -0.5238     0.1663	H	1	noname	0.0267
31	H14     1.2233    -1.3180    -1.2175	H	1	noname	0.0267
32	H15    -2.2193     5.1910     2.1112	H	1	noname	0.0267
33	H16    -1.2266     6.5695     1.9157	H	1	noname	0.0267
34	H17    -2.8874     5.1928    -1.7763	H	1	noname	0.0267
35	H18    -1.1428     5.5654    -1.5619	H	1	noname	0.0267
36	H19     0.2572    -2.8911     0.0711	H	1	noname	0.0266
37	H20     0.8749    -2.0239     1.4608	H	1	noname	0.0266
38	H21    -3.3874     6.0590     0.3306	H	1	noname	0.0266
39	H22    -2.0338     7.0655    -0.1795	H	1	noname	0.0266
40	H23    -0.1012     1.4396     4.3026	H	1	noname	0.2398
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	5	1
5	2	40	1
6	5	6	1
7	5	7	1
8	6	8	1
9	6	9	1
10	6	18	1
11	7	10	1
12	7	11	1
13	7	19	1
14	8	15	1
15	8	26	1
16	8	27	1
17	9	14	1
18	9	24	1
19	9	25	1
20	10	13	1
21	10	22	1
22	10	23	1
23	11	12	1
24	11	20	1
25	11	21	1
26	12	16	1
27	12	34	1
28	12	35	1
29	13	16	1
30	13	32	1
31	13	33	1
32	14	17	1
33	14	28	1
34	14	29	1
35	15	17	1
36	15	30	1
37	15	31	1
38	16	38	1
39	16	39	1
40	17	36	1
41	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1