@<TRIPOS>MOLECULE
DB02972
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.8410    -1.4614     0.8253	N.3	1	noname	-0.3273
2	C1    -1.7466    -0.6489     0.2968	C.3	1	noname	0.0078
3	C2    -0.7753    -1.5427    -0.4769	C.3	1	noname	0.0146
4	C3    -1.0073     0.0257     1.4541	C.3	1	noname	-0.0405
5	C4     0.3177    -0.7313    -1.0046	C.2	1	noname	-0.0568
6	C5    -1.9786     0.9195     2.2277	C.3	1	noname	-0.0639
7	C6     1.4665    -0.5353    -0.2469	C.2	1	noname	-0.0634
8	C7     0.2096    -0.1547    -2.2647	C.2	1	noname	-0.0634
9	C8     2.5071     0.2372    -0.7494	C.2	1	noname	-0.0629
10	C9     1.2501     0.6179    -2.7672	C.2	1	noname	-0.0629
11	C10     2.3989     0.8138    -2.0095	C.2	1	noname	-0.0682
12	H1    -3.7405    -1.0398     1.0078	H	1	noname	0.1186
13	H2    -2.6977    -2.4444     1.0078	H	1	noname	0.1186
14	H3    -2.1916     0.0966    -0.3622	H	1	noname	0.0465
15	H4    -0.3208    -2.2300     0.2367	H	1	noname	0.0332
16	H5    -1.3065    -1.9315    -1.3456	H	1	noname	0.0332
17	H6    -0.6989    -0.7673     2.1353	H	1	noname	0.0279
18	H7    -0.2604     0.6835     1.0096	H	1	noname	0.0279
19	H8    -1.8269     0.7799     3.2981	H	1	noname	0.0231
20	H9    -1.7978     1.9626     1.9682	H	1	noname	0.0231
21	H10    -3.0031     0.6529     1.9682	H	1	noname	0.0231
22	H11     1.5513    -0.9875     0.7412	H	1	noname	0.0625
23	H12    -0.6913    -0.3083    -2.8589	H	1	noname	0.0625
24	H13     3.4079     0.3909    -0.1552	H	1	noname	0.0622
25	H14     1.1653     1.0701    -3.7554	H	1	noname	0.0622
26	H15     3.2149     1.4197    -2.4035	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	1	12	1
13	1	13	1
14	2	14	1
15	3	15	1
16	3	16	1
17	4	17	1
18	4	18	1
19	6	19	1
20	6	20	1
21	6	21	1
22	7	22	1
23	8	23	1
24	9	24	1
25	10	25	1
26	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1