@<TRIPOS>MOLECULE
112500446
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9298    -1.2001    -4.1089	O.3	1	noname	-0.2674
2	O2     2.4260     1.4530    -3.6373	O.3	1	noname	-0.2760
3	O3     0.4453    -1.0904     2.5739	O.3	1	noname	-0.2139
4	O4    -0.2744     0.4001     1.0464	O.2	1	noname	-0.2495
5	N1    -1.7909    -2.5588     1.4013	N.3	1	noname	-0.3191
6	C1    -1.4353    -1.2462    -0.6285	C.3	1	noname	-0.0029
7	C2    -0.7810    -1.8529     0.6144	C.3	1	noname	0.0953
8	C3    -0.4268    -0.5412    -1.4144	C.2	1	noname	-0.0570
9	C4     0.2817    -1.2159    -2.4018	C.2	1	noname	-0.0181
10	C5    -0.1751     0.8047    -1.1751	C.2	1	noname	-0.0592
11	C6     1.2418    -0.5448    -3.1499	C.2	1	noname	0.0246
12	C7     0.7851     1.4759    -1.9233	C.2	1	noname	-0.0228
13	C8     1.4935     0.8012    -2.9107	C.2	1	noname	0.0236
14	C9    -0.1908    -0.7893     1.4219	C.2	1	noname	0.1438
15	C10     3.1053    -1.7643    -3.5464	C.3	1	noname	0.0424
16	H1    -1.8759    -2.0403    -1.2314	H	1	noname	0.0337
17	H2    -2.2136    -0.5463    -0.3245	H	1	noname	0.0337
18	H3    -0.0027    -2.5527     0.3103	H	1	noname	0.0575
19	H4     0.0970    -2.2036    -2.5773	H	1	noname	0.0654
20	H5    -0.6949     1.2998    -0.4506	H	1	noname	0.0626
21	H6     0.9698     2.4636    -1.7477	H	1	noname	0.0651
22	H7    -2.2041    -3.3033     0.8360	H	1	noname	0.1191
23	H8    -2.5207    -1.9026     1.6864	H	1	noname	0.1191
24	H9     2.4764     2.3863    -3.3424	H	1	noname	0.2183
25	H10     1.1844    -0.5281     2.8870	H	1	noname	0.2213
26	H11     3.6608    -2.2934    -4.3206	H	1	noname	0.0535
27	H12     2.8306    -2.4619    -2.7552	H	1	noname	0.0535
28	H13     3.7266    -0.9706    -3.1314	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	11	1
2	1	15	1
3	2	13	1
4	2	24	1
5	3	14	1
6	3	25	1
7	4	14	2
8	7	5	1
9	5	22	1
10	5	23	1
11	6	7	1
12	6	8	1
13	6	16	1
14	6	17	1
15	7	14	1
16	7	18	1
17	8	9	2
18	8	10	1
19	9	11	1
20	9	19	1
21	10	12	2
22	10	20	1
23	11	13	2
24	12	13	1
25	12	21	1
26	15	26	1
27	15	27	1
28	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1