@<TRIPOS>MOLECULE
76971450
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2722    -2.2366     0.6207	O.3	1	noname	-0.8106
2	O2    -3.9660     0.4696    -0.2647	O.2	1	noname	-0.2342
3	N1     1.3517     0.3078     0.3570	N.3	1	noname	-0.0235
4	N2    -1.9401     1.5057    -0.0983	N.3	1	noname	-0.0739
5	N3     0.3999     2.2961    -0.0151	N.2	1	noname	-0.2044
6	N4    -2.1330    -0.8366     0.1535	N.2	1	noname	-0.1461
7	C1     0.0227     0.1417     0.3047	C.2	1	noname	-0.0250
8	C2    -0.5851     1.3779     0.0686	C.2	1	noname	0.0674
9	C3     1.5634     1.6256     0.1412	C.2	1	noname	-0.0314
10	C4    -0.7920    -1.0170     0.3659	C.2	1	noname	-0.0373
11	C5     2.3259    -0.6849     0.5888	C.3	1	noname	-0.0570
12	C6    -2.7328     0.3857    -0.0782	C.2	1	noname	0.1565
13	C7    -2.5149     2.7790    -0.2894	C.3	1	noname	0.0027
14	H1     2.4856     2.0597     0.1013	H	1	noname	0.1016
15	H2     3.0005    -0.7384    -0.2657	H	1	noname	0.0436
16	H3     1.8365    -1.6491     0.7262	H	1	noname	0.0436
17	H4     2.8936    -0.4345     1.4849	H	1	noname	0.0436
18	H5    -2.2976     3.4088     0.5733	H	1	noname	0.0404
19	H6    -3.5943     2.6771    -0.4022	H	1	noname	0.0404
20	H7    -2.0972     3.2353    -1.1868	H	1	noname	0.0404
@<TRIPOS>BOND
1	1	10	1
2	2	12	2
3	3	7	1
4	3	9	1
5	3	11	1
6	4	8	1
7	4	12	1
8	4	13	1
9	5	8	1
10	5	9	2
11	6	10	2
12	6	12	1
13	7	8	2
14	7	10	1
15	9	14	1
16	11	15	1
17	11	16	1
18	11	17	1
19	13	18	1
20	13	19	1
21	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1