@<TRIPOS>MOLECULE
DB07345
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8047    -0.8430    -1.2536	O.3	1	noname	-0.2869
2	C1     1.4764     0.2241    -0.4946	C.2	1	noname	-0.0128
3	C2     0.2593     0.2019     0.2851	C.2	1	noname	-0.0289
4	C3     2.3319     1.3625    -0.4686	C.2	1	noname	-0.0350
5	C4    -0.0674     1.3526     1.1103	C.2	1	noname	-0.0564
6	C5    -0.6404    -0.9869     0.1643	C.3	1	noname	0.0240
7	C6     1.9493     2.4842     0.3303	C.2	1	noname	-0.0615
8	C7     0.7632     2.5063     1.1293	C.2	1	noname	-0.0695
9	C8    -0.1470    -2.1956     1.0354	C.3	1	noname	-0.0463
10	C9    -2.1817    -0.6960     0.2330	C.3	1	noname	-0.0463
11	C10     0.4174     3.6729     1.9362	C.3	1	noname	0.0108
12	C11    -1.2413    -3.0554     1.7601	C.3	1	noname	-0.0527
13	C12    -2.7543    -0.8474     1.6741	C.3	1	noname	-0.0527
14	C13    -0.4414     4.6300     1.1072	C.3	1	noname	-0.0036
15	C14    -2.4220    -2.2171     2.3582	C.3	1	noname	-0.0532
16	N1    -0.7876     5.7982     1.9151	N.3	1	noname	-0.3301
17	H1     2.0322    -1.5822    -0.6850	H	1	noname	0.2182
18	H2     3.2564     1.3749    -1.0458	H	1	noname	0.0650
19	H3    -0.9617     1.3503     1.7334	H	1	noname	0.0629
20	H4    -0.4941    -1.2543    -0.8823	H	1	noname	0.0353
21	H5     2.5924     3.3642     0.3303	H	1	noname	0.0626
22	H6     0.3284    -2.8777     0.3305	H	1	noname	0.0273
23	H7     0.4380    -1.7465     1.8380	H	1	noname	0.0273
24	H8    -2.3062     0.3543    -0.0306	H	1	noname	0.0273
25	H9    -2.6651    -1.4689    -0.3646	H	1	noname	0.0273
26	H10    -0.2003     3.2999     2.7531	H	1	noname	0.0329
27	H11     1.3590     4.1781     2.1516	H	1	noname	0.0329
28	H12    -1.6858    -3.6828     0.9875	H	1	noname	0.0267
29	H13    -0.7418    -3.5135     2.6137	H	1	noname	0.0267
30	H14    -2.2517    -0.0866     2.2714	H	1	noname	0.0267
31	H15    -3.8384    -0.8251     1.5635	H	1	noname	0.0267
32	H16     0.1766     5.0025     0.2902	H	1	noname	0.0428
33	H17    -1.3827     4.1244     0.8917	H	1	noname	0.0428
34	H18    -3.3098    -2.8313     2.2076	H	1	noname	0.0266
35	H19    -2.1026    -1.9590     3.3679	H	1	noname	0.0266
36	H20    -0.0686     6.4503     2.1942	H	1	noname	0.1184
37	H21    -1.7458     5.9532     2.1942	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	6	9	1
9	6	10	1
10	7	8	1
11	8	11	1
12	9	12	1
13	10	13	1
14	11	14	1
15	12	15	1
16	13	15	1
17	14	16	1
18	1	17	1
19	4	18	1
20	5	19	1
21	6	20	1
22	7	21	1
23	9	22	1
24	9	23	1
25	10	24	1
26	10	25	1
27	11	26	1
28	11	27	1
29	12	28	1
30	12	29	1
31	13	30	1
32	13	31	1
33	14	32	1
34	14	33	1
35	15	34	1
36	15	35	1
37	16	36	1
38	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1