@<TRIPOS>MOLECULE
DB02665
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.3004    -1.0127     2.1206	N.4	1	noname	-0.0068
2	C1    -0.7447    -0.4750     0.8357	C.3	1	noname	0.0054
3	C2    -0.8237    -1.6067    -0.1909	C.3	1	noname	0.0473
4	C3    -2.1003    -1.0827     0.4698	C.3	1	noname	0.0123
5	C4    -0.7091    -1.0520    -1.5365	C.2	1	noname	-0.0513
6	C5    -1.2671    -1.7266    -2.6162	C.2	1	noname	-0.0558
7	C6    -0.0421     0.1507    -1.7380	C.2	1	noname	-0.0558
8	C7    -1.1581    -1.1985    -3.8973	C.2	1	noname	-0.0605
9	C8     0.0670     0.6788    -3.0191	C.2	1	noname	-0.0605
10	C9    -0.4910     0.0042    -4.0988	C.2	1	noname	-0.0628
11	H1    -0.3126    -2.0220     2.0855	H	1	noname	0.2556
12	H2     0.6385    -0.6938     2.3125	H	1	noname	0.2556
13	H3    -0.9203    -0.6938     2.8515	H	1	noname	0.2556
14	H4    -0.3104     0.5236     0.8829	H	1	noname	0.0984
15	H5    -0.3486    -2.5762    -0.3407	H	1	noname	0.0425
16	H6    -2.5440    -1.7345     1.2225	H	1	noname	0.0345
17	H7    -2.7393    -0.4654    -0.1616	H	1	noname	0.0345
18	H8    -1.7902    -2.6698    -2.4582	H	1	noname	0.0625
19	H9     0.3955     0.6797    -0.8914	H	1	noname	0.0625
20	H10    -1.5956    -1.7275    -4.7439	H	1	noname	0.0622
21	H11     0.5901     1.6220    -3.1771	H	1	noname	0.0622
22	H12    -0.4055     0.4184    -5.1034	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	4	1
6	5	6	2
7	5	7	1
8	6	8	1
9	7	9	2
10	8	10	2
11	9	10	1
12	1	11	1
13	1	12	1
14	1	13	1
15	2	14	1
16	3	15	1
17	4	16	1
18	4	17	1
19	6	18	1
20	7	19	1
21	8	20	1
22	9	21	1
23	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1