@<TRIPOS>MOLECULE
DB06698
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.3373    -0.0624     0.0504	N.2	1	noname	-0.2604
2	C1     1.6641     0.1659    -0.2763	C.2	1	noname	0.0000
3	C2    -0.5955     0.9324     0.2948	C.2	1	noname	-0.0059
4	C3     2.1275     1.5211    -0.3742	C.2	1	noname	-0.0320
5	C4     2.5738    -0.9505    -0.5165	C.3	1	noname	0.0461
6	C5    -0.1804     2.3040     0.2091	C.2	1	noname	-0.0367
7	C6     1.1850     2.5686    -0.1267	C.2	1	noname	-0.0444
8	C7     2.6560    -1.8206     0.7393	C.3	1	noname	0.0004
9	N2     3.5669    -2.9386     0.4988	N.3	1	noname	-0.3193
10	C8     3.6455    -3.7700     1.6988	C.3	1	noname	-0.0164
11	H1    -1.6172     0.6467     0.5449	H	1	noname	0.0839
12	H2     3.1630     1.7477    -0.6285	H	1	noname	0.0641
13	H3     2.1128    -1.5491    -1.3021	H	1	noname	0.0345
14	H4     3.5569    -0.5074    -0.6749	H	1	noname	0.0345
15	H5    -0.8802     3.1191     0.3933	H	1	noname	0.0638
16	H6     1.5186     3.6040    -0.1964	H	1	noname	0.0623
17	H7     3.1167    -1.2216     1.5248	H	1	noname	0.0431
18	H8     1.6726    -2.2634     0.8976	H	1	noname	0.0431
19	H9     4.0649    -3.1100    -0.3630	H	1	noname	0.1219
20	H10     3.6268    -4.8220     1.4139	H	1	noname	0.0391
21	H11     4.5721    -3.5540     2.2305	H	1	noname	0.0391
22	H12     2.7960    -3.5540     2.3468	H	1	noname	0.0391
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	4	7	2
7	5	8	1
8	6	7	1
9	8	9	1
10	9	10	1
11	3	11	1
12	4	12	1
13	5	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	10	21	1
22	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1