@<TRIPOS>MOLECULE
57465250
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.3606     0.9554     1.1489	O.3	1	noname	-0.2441
2	O2    -4.9826    -1.2137     2.0932	O.3	1	noname	-0.2431
3	O3    -0.7975     2.9220     4.5483	O.2	1	noname	-0.2921
4	N1    -2.7534     4.9817     2.3303	N.3	1	noname	-0.3214
5	C1    -2.5497     1.9753     3.3562	C.2	1	noname	-0.0181
6	C2    -1.7612     4.5165     3.3032	C.3	1	noname	0.0655
7	C3    -4.3722     0.9587     2.0575	C.2	1	noname	0.0437
8	C4    -1.7287     3.0965     3.7284	C.2	1	noname	0.0998
9	C5    -4.1385    -0.2919     2.6027	C.2	1	noname	0.0495
10	C6    -3.6214     2.0800     2.4280	C.2	1	noname	0.0247
11	C7    -2.3103     0.6752     3.9121	C.2	1	noname	-0.0157
12	C8    -3.1016    -0.4535     3.5559	C.2	1	noname	-0.0049
13	C9    -1.7969     5.4181     4.5388	C.3	1	noname	-0.0425
14	C10    -5.9036    -0.3540     1.3838	C.3	1	noname	0.1587
15	H1    -0.7688     4.7238     2.9029	H	1	noname	0.0545
16	H2    -3.8866     2.9543     1.9953	H	1	noname	0.0658
17	H3    -1.5549     0.5104     4.5877	H	1	noname	0.0631
18	H4    -2.9139    -1.3703     3.9851	H	1	noname	0.0651
19	H5    -1.0589     5.0721     5.2626	H	1	noname	0.0251
20	H6    -2.7900     5.3815     4.9868	H	1	noname	0.0251
21	H7    -1.5673     6.4430     4.2475	H	1	noname	0.0251
22	H8    -6.8299    -0.2667     1.9516	H	1	noname	0.0892
23	H9    -6.1982    -0.8143     0.4407	H	1	noname	0.0892
24	H10    -2.6226     5.9812     2.1616	H	1	noname	0.1191
25	H11    -3.6931     4.8183     2.6973	H	1	noname	0.1191
@<TRIPOS>BOND
1	1	7	1
2	1	14	1
3	2	9	1
4	2	14	1
5	3	8	2
6	4	6	1
7	4	24	1
8	4	25	1
9	5	8	1
10	5	10	2
11	5	11	1
12	6	8	1
13	6	13	1
14	6	15	1
15	7	9	2
16	7	10	1
17	9	12	1
18	10	16	1
19	11	12	2
20	11	17	1
21	12	18	1
22	13	19	1
23	13	20	1
24	13	21	1
25	14	22	1
26	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1