@<TRIPOS>MOLECULE
76962255
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.3767     2.8117    -0.3736	O.3	1	noname	-0.2597
2	O2    -0.4118    -2.2716     0.1671	O.2	1	noname	-0.2420
3	N1    -0.0410    -0.0131     0.0036	N.3	1	noname	0.0820
4	N2     1.2472     0.0486     0.0780	N.3	1	noname	-0.0175
5	N3     0.5175     2.0949    -0.1359	N.2	1	noname	-0.2027
6	N4    -2.2159    -0.8582    -0.0609	N.2	1	noname	-0.1384
7	N5     2.8850     1.7944     0.0350	N.3	1	noname	-0.1219
8	C1    -0.5218     1.2522    -0.1305	C.2	1	noname	0.0492
9	C2    -1.9072     1.5530    -0.2408	C.2	1	noname	0.0432
10	C3     1.6249     1.3402    -0.0053	C.2	1	noname	-0.0906
11	C4    -0.8617    -1.1119     0.0436	C.2	1	noname	0.1190
12	C5    -2.7596     0.4060    -0.1987	C.2	1	noname	0.0846
13	C6    -2.6234     3.3630     0.9116	C.3	1	noname	0.0425
14	H1     1.8442    -0.7094     0.1774	H	1	noname	0.1514
15	H2    -3.7707     0.5202    -0.2705	H	1	noname	0.0870
16	H3     2.8829     2.7611    -0.0449	H	1	noname	0.1268
17	H4     3.2934     1.5404     0.8773	H	1	noname	0.1268
18	H5    -3.0024     4.3793     0.8043	H	1	noname	0.0535
19	H6    -3.3613     2.7531     1.4329	H	1	noname	0.0535
20	H7    -1.6960     3.3796     1.4840	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	9	1
2	1	13	1
3	2	11	2
4	3	4	1
5	3	8	1
6	3	11	1
7	4	10	1
8	4	14	1
9	5	8	1
10	5	10	2
11	6	11	1
12	6	12	2
13	7	10	1
14	7	16	1
15	7	17	1
16	8	9	2
17	9	12	1
18	12	15	1
19	13	18	1
20	13	19	1
21	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1