@<TRIPOS>MOLECULE
DB01447
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6712    -0.2967    -0.4906	O.3	1	noname	-0.2383
2	C1    -1.8079    -0.8579    -1.6830	C.2	1	noname	-0.0530
3	C2    -0.5161    -1.0098    -0.0878	C.3	1	noname	0.1141
4	N1    -0.7506    -1.3443    -2.2172	N.2	1	noname	-0.2202
5	N2    -2.9693    -0.9127    -2.2867	N.3	1	noname	-0.0998
6	C3     0.0963    -0.3977     1.0950	C.2	1	noname	-0.0412
7	C4     0.3047    -1.1769    -1.3827	C.3	1	noname	0.0821
8	C5     1.1072     0.6240     0.9998	C.2	1	noname	-0.0482
9	C6    -0.4152    -0.8393     2.3677	C.2	1	noname	-0.0482
10	C7     1.1101    -2.4758    -1.3120	C.3	1	noname	-0.0396
11	C8     1.6390     1.2008     2.1908	C.2	1	noname	-0.0582
12	C9     0.1044    -0.2561     3.5674	C.2	1	noname	-0.0582
13	C10     1.1241     0.7433     3.4430	C.2	1	noname	-0.0610
14	H1    -0.7497    -1.9827     0.3448	H	1	noname	0.0684
15	H2    -3.4582    -0.0601    -2.5194	H	1	noname	0.1278
16	H3    -3.3758    -1.8075    -2.5194	H	1	noname	0.1278
17	H4     0.9657    -0.3747    -1.7106	H	1	noname	0.0580
18	H5     1.4691     0.9601     0.0281	H	1	noname	0.0626
19	H6    -1.1872    -1.6068     2.4224	H	1	noname	0.0626
20	H7     1.2763    -2.7440    -0.2687	H	1	noname	0.0253
21	H8     0.5574    -3.2735    -1.8085	H	1	noname	0.0253
22	H9     2.0702    -2.3355    -1.8085	H	1	noname	0.0253
23	H10     2.4137     1.9663     2.1455	H	1	noname	0.0622
24	H11    -0.2651    -0.5635     4.5457	H	1	noname	0.0622
25	H12     1.5319     1.1810     4.3542	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	1
7	4	7	1
8	6	8	2
9	6	9	1
10	7	10	1
11	8	11	1
12	9	12	2
13	11	13	2
14	12	13	1
15	3	14	1
16	5	15	1
17	5	16	1
18	7	17	1
19	8	18	1
20	9	19	1
21	10	20	1
22	10	21	1
23	10	22	1
24	11	23	1
25	12	24	1
26	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1