@<TRIPOS>MOLECULE
DB02230
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3812    -2.8176     2.2954	O.3	1	noname	-0.2528
2	C1     2.3335    -1.4704     2.3679	C.2	1	noname	0.0215
3	N1     2.6575    -0.8056     3.5250	N.2	1	noname	-0.1774
4	C2     1.9473    -0.6860     1.2535	C.2	1	noname	-0.0705
5	C3     2.6307     0.5593     3.6654	C.2	1	noname	0.0366
6	N2     1.5626    -1.0131     0.0157	N.3	1	noname	-0.0456
7	C4     1.9500     0.6993     1.4201	C.2	1	noname	0.0098
8	N3     2.9376     1.1161     4.8050	N.2	1	noname	-0.2400
9	N4     2.2765     1.3252     2.5892	N.3	1	noname	0.0868
10	C5     1.3294     0.1395    -0.6627	C.2	1	noname	-0.0827
11	C6     1.5758     1.2198     0.1848	C.2	1	noname	-0.0126
12	C7     1.5275     2.6254    -0.2180	C.3	1	noname	0.0633
13	N5     2.8329     3.2602    -0.0634	N.3	1	noname	-0.3001
14	C8     0.5825     3.4997     0.5977	C.3	1	noname	0.1011
15	C9     2.5327     4.6636    -0.3214	C.3	1	noname	0.0595
16	O2    -0.7291     3.4075     0.0614	O.3	1	noname	-0.3882
17	C10     1.1548     4.8926     0.3113	C.3	1	noname	0.0994
18	C11     3.5687     5.5441     0.3801	C.3	1	noname	0.0612
19	O3     0.3156     5.5682    -0.6138	O.3	1	noname	-0.3885
20	O4     4.8636     5.2382    -0.1159	O.3	1	noname	-0.3945
21	H1     2.3942    -3.1855     3.1820	H	1	noname	0.2199
22	H2     1.4664    -1.9535    -0.3398	H	1	noname	0.1523
23	H3     3.1224     0.3986     5.4914	H	1	noname	0.1893
24	H4     2.2564     2.3328     2.6563	H	1	noname	0.0669
25	H5     1.0028     0.1886    -1.7015	H	1	noname	0.0792
26	H6     1.2175     2.5467    -1.2600	H	1	noname	0.0544
27	H7     3.7204     2.8355     0.1647	H	1	noname	0.1233
28	H8     0.4509     3.2272     1.6449	H	1	noname	0.0648
29	H9     2.5606     4.8613    -1.3930	H	1	noname	0.0517
30	H10    -1.3657     3.3627     0.7786	H	1	noname	0.2106
31	H11     1.1781     5.5434     1.1854	H	1	noname	0.0645
32	H12     3.3837     6.5787     0.0912	H	1	noname	0.0580
33	H13     3.5884     5.2678     1.4343	H	1	noname	0.0580
34	H14    -0.3328     6.0901    -0.1356	H	1	noname	0.2106
35	H15     5.4631     5.0965     0.6204	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	1
10	7	11	1
11	7	9	1
12	10	11	2
13	12	11	1
14	12	13	1
15	12	14	1
16	13	15	1
17	14	16	1
18	14	17	1
19	15	18	1
20	15	17	1
21	17	19	1
22	18	20	1
23	1	21	1
24	6	22	1
25	8	23	1
26	9	24	1
27	10	25	1
28	12	26	1
29	13	27	1
30	14	28	1
31	15	29	1
32	16	30	1
33	17	31	1
34	18	32	1
35	18	33	1
36	19	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1