@<TRIPOS>MOLECULE
DB04512
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9899    -0.9565     0.3587	O.3	1	noname	-0.2371
2	C1    -0.0678     0.0077     0.5648	C.2	1	noname	0.0805
3	C2    -1.9668    -0.4887    -0.5595	C.3	1	noname	0.0441
4	N1     1.0203     0.0718    -0.2147	N.2	1	noname	-0.2120
5	C3    -0.2469     0.9339     1.5857	C.2	1	noname	0.0612
6	C4     1.9356     1.0289    -0.0102	C.2	1	noname	0.0243
7	N2     0.6684     1.8910     1.7902	N.2	1	noname	-0.2365
8	C5    -1.4324     0.8640     2.4350	C.3	1	noname	0.0612
9	C6     1.7564     1.9551     1.0107	C.2	1	noname	0.0116
10	C7    -1.1422    -0.0288     3.6432	C.3	1	noname	-0.0414
11	C8    -2.3845    -0.1021     4.5333	C.3	1	noname	-0.0624
12	C9     0.0237     0.5572     4.4420	C.3	1	noname	-0.0624
13	H1    -2.8161    -0.0820    -0.0105	H	1	noname	0.0535
14	H2    -1.5328     0.2902    -1.1864	H	1	noname	0.0535
15	H3    -2.3016    -1.3152    -1.1864	H	1	noname	0.0535
16	H4     2.8091     1.0535    -0.6617	H	1	noname	0.0856
17	H5    -1.5960     1.8760     2.8053	H	1	noname	0.0336
18	H6    -2.2000     0.3712     1.8384	H	1	noname	0.0336
19	H7     2.4818     2.7456     1.2033	H	1	noname	0.0855
20	H8    -0.8811    -1.0301     3.3007	H	1	noname	0.0301
21	H9    -2.0827    -0.0843     5.5805	H	1	noname	0.0233
22	H10    -3.0303     0.7514     4.3267	H	1	noname	0.0233
23	H11    -2.9255    -1.0255     4.3267	H	1	noname	0.0233
24	H12    -0.1788     0.4554     5.5082	H	1	noname	0.0233
25	H13     0.9400     0.0216     4.1935	H	1	noname	0.0233
26	H14     0.1407     1.6120     4.1935	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	7	9	1
10	8	10	1
11	10	11	1
12	10	12	1
13	3	13	1
14	3	14	1
15	3	15	1
16	6	16	1
17	8	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	11	22	1
23	11	23	1
24	12	24	1
25	12	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1