@<TRIPOS>MOLECULE
DB02685
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.5340    -2.6850     0.3423	O.2	1	noname	-0.2495
2	C1    -2.2887    -2.6629     0.2358	C.2	1	noname	0.1438
3	O2    -1.6375    -3.7209    -0.2924	O.3	1	noname	-0.2139
4	C2    -1.5385    -1.4927     0.6825	C.3	1	noname	0.0953
5	N1    -0.5982    -1.8875     1.7301	N.3	1	noname	-0.3191
6	C3    -0.7671    -0.9000    -0.4984	C.3	1	noname	-0.0030
7	C4    -0.0170     0.2701    -0.0516	C.2	1	noname	-0.0560
8	C5     1.2813     0.1238     0.4229	C.2	1	noname	-0.0617
9	C6    -0.6011     1.5305    -0.1007	C.2	1	noname	-0.0653
10	C7     1.9955     1.2378     0.8482	C.2	1	noname	-0.0579
11	C8     0.1131     2.6445     0.3246	C.2	1	noname	-0.0623
12	C9     1.4114     2.4982     0.7991	C.2	1	noname	-0.0666
13	C10     3.3592     1.0841     1.3466	C.3	1	noname	-0.0021
14	H1    -1.2975    -4.2733     0.4154	H	1	noname	0.2213
15	H2    -2.2442    -0.7793     1.1083	H	1	noname	0.0575
16	H3     0.3775    -2.0238     1.5076	H	1	noname	0.1191
17	H4    -0.9243    -2.0238     2.6762	H	1	noname	0.1191
18	H5    -0.0224    -1.6338    -0.8067	H	1	noname	0.0337
19	H6    -1.4985    -0.5307    -1.2173	H	1	noname	0.0337
20	H7     1.7393    -0.8646     0.4614	H	1	noname	0.0628
21	H8    -1.6191     1.6452    -0.4728	H	1	noname	0.0625
22	H9    -0.3449     3.6329     0.2861	H	1	noname	0.0622
23	H10     1.9715     3.3718     1.1327	H	1	noname	0.0625
24	H11     3.3500     1.0852     2.4366	H	1	noname	0.0279
25	H12     3.7732     0.1418     0.9877	H	1	noname	0.0279
26	H13     3.9725     1.9106     0.9877	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	10	13	1
13	11	12	1
14	3	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	8	20	1
21	9	21	1
22	11	22	1
23	12	23	1
24	13	24	1
25	13	25	1
26	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1