@<TRIPOS>MOLECULE
50078825
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9512    -1.6651    -0.0458	S	1	noname	-0.0986
2	O1     0.0360    -2.6652     0.6981	O.2	1	noname	-0.1954
3	O2    -2.2264    -2.4636    -0.5600	O.2	1	noname	-0.1954
4	N1    -1.4368    -0.4610     1.0204	N.3	1	noname	0.0779
5	C1    -0.1377    -0.9479    -1.3937	C.2	1	noname	0.0194
6	C2    -1.6292    -0.9917     2.2358	C.2	1	noname	-0.0242
7	C3     0.5672     0.2387    -1.2290	C.2	1	noname	0.0128
8	C4    -0.1891    -1.5584    -2.6415	C.2	1	noname	0.0128
9	C5    -2.0370    -0.1833     3.2904	C.2	1	noname	-0.0463
10	C6    -1.4211    -2.3505     2.4417	C.2	1	noname	-0.0463
11	C7     1.2208     0.8149    -2.3120	C.2	1	noname	-0.0361
12	C8     0.4645    -0.9822    -3.7245	C.2	1	noname	-0.0361
13	C9    -2.2366    -0.7337     4.5511	C.2	1	noname	-0.0598
14	C10    -1.6208    -2.9009     3.7024	C.2	1	noname	-0.0598
15	C11     1.1694     0.2044    -3.5598	C.2	1	noname	-0.0299
16	C12    -2.0285    -2.0925     4.7571	C.2	1	noname	-0.0746
17	H1    -1.6045     0.5313     0.9352	H	1	noname	0.1506
18	H2     0.6075     0.7173    -0.2506	H	1	noname	0.0639
19	H3    -0.7419    -2.4889    -2.7706	H	1	noname	0.0639
20	H4    -2.2002     0.8823     3.1289	H	1	noname	0.0639
21	H5    -1.1014    -2.9844     1.6147	H	1	noname	0.0639
22	H6     1.7736     1.7454    -2.1829	H	1	noname	0.0623
23	H7     0.4243    -1.4609    -4.7029	H	1	noname	0.0623
24	H8    -2.5564    -0.0998     5.3782	H	1	noname	0.0623
25	H9    -1.4576    -3.9664     3.8639	H	1	noname	0.0623
26	H10     1.6820     0.6563    -4.4091	H	1	noname	0.0622
27	H11    -2.1851    -2.5241     5.7457	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	2
14	11	15	2
15	12	15	1
16	13	16	2
17	14	16	1
18	4	17	1
19	7	18	1
20	8	19	1
21	9	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	14	25	1
27	15	26	1
28	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1