@<TRIPOS>MOLECULE
56604106
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.5285     2.5698    -0.7750	O.3	1	noname	-0.1923
2	O2     3.0496     1.6163    -1.6087	O.3	1	noname	-0.3874
3	O3    -0.4582    -0.7613    -0.1817	O.3	1	noname	-0.2766
4	O4     3.2414    -1.0825    -2.3872	O.3	1	noname	-0.3934
5	O5    -1.0175     3.2633    -2.4909	O.2	1	noname	-0.2492
6	N1    -2.4087     0.8011    -1.5555	N.3	1	noname	-0.1223
7	C1     0.9288     1.2160    -0.5375	C.3	1	noname	0.1433
8	C2     1.9064     0.7743    -1.6285	C.3	1	noname	0.1101
9	C3    -0.2766     0.4612    -0.6453	C.2	1	noname	0.0239
10	C4     2.3341    -0.6726    -1.3747	C.3	1	noname	0.0722
11	C5    -1.1853     1.1833    -1.2852	C.2	1	noname	0.0179
12	C6    -0.6131     2.4488    -1.6332	C.2	1	noname	0.1111
13	H1     1.4261     1.0841     0.4235	H	1	noname	0.0712
14	H2     1.4204     0.8441    -2.6017	H	1	noname	0.0656
15	H3     1.4566    -1.3189    -1.3898	H	1	noname	0.0591
16	H4     2.8201    -0.7424    -0.4015	H	1	noname	0.0591
17	H5     2.7756     2.5431    -1.7713	H	1	noname	0.2106
18	H6    -2.8714     1.5093    -2.0301	H	1	noname	0.1245
19	H7    -2.8769     0.6065    -0.7285	H	1	noname	0.1245
20	H8    -1.3711    -1.0550    -0.3836	H	1	noname	0.2179
21	H9     3.5154    -2.0092    -2.2247	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	7	1
2	1	12	1
3	8	2	1
4	2	17	1
5	3	9	1
6	3	20	1
7	4	10	1
8	4	21	1
9	5	12	2
10	6	11	1
11	6	18	1
12	6	19	1
13	7	8	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	11	2
19	10	15	1
20	10	16	1
21	11	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1