@<TRIPOS>MOLECULE
56842661
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2043     0.6023     0.1022	O.2	1	noname	-0.2978
2	O2     2.9421     1.8915     0.3407	O.3	1	noname	-0.2139
3	O3     0.9422     1.7366     1.3648	O.2	1	noname	-0.2495
4	N1     2.3183    -0.9246    -0.1203	N.3	1	noname	-0.3190
5	N2    -0.5689     1.9609    -0.6140	N.3	1	noname	-0.0903
6	C1     1.3639     0.1632    -0.3281	C.3	1	noname	0.0995
7	C2    -0.0397    -0.3095     0.0559	C.3	1	noname	0.0457
8	C3    -0.9928     0.7768    -0.1516	C.2	1	noname	0.0335
9	C4     1.7376     1.3040     0.5030	C.2	1	noname	0.1439
10	H1     1.3732     0.4594    -1.3770	H	1	noname	0.0576
11	H2    -0.3187    -1.1611    -0.5645	H	1	noname	0.0382
12	H3    -0.0490    -0.6056     1.1049	H	1	noname	0.0382
13	H4     2.0567    -1.7231    -0.7021	H	1	noname	0.1192
14	H5     2.3096    -1.2022     0.8632	H	1	noname	0.1192
15	H6     0.3712     2.0963    -0.8109	H	1	noname	0.1271
16	H7    -1.2022     2.6826    -0.7519	H	1	noname	0.1271
17	H8     3.0505     2.8471     0.5289	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	2
2	2	9	1
3	2	17	1
4	3	9	2
5	6	4	1
6	4	13	1
7	4	14	1
8	5	8	1
9	5	15	1
10	5	16	1
11	6	7	1
12	6	9	1
13	6	10	1
14	7	8	1
15	7	11	1
16	7	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1