@<TRIPOS>MOLECULE
DB01765
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0519    -1.0189     0.1876	O.2	1	noname	-0.2751
2	C1     1.4005     0.0456     0.1175	C.2	1	noname	0.0915
3	N1     2.0074     1.2422     0.3409	N.3	1	noname	-0.1303
4	C2     0.0279     0.0239    -0.1939	C.2	1	noname	-0.0096
5	C3     1.3076     2.4097     0.2909	C.2	1	noname	-0.0445
6	C4    -0.7199     1.2675    -0.2037	C.2	1	noname	0.0221
7	C5    -0.5796    -1.2082    -0.5639	C.2	1	noname	-0.0133
8	N2    -0.0372     2.4422     0.0655	N.3	1	noname	-0.0248
9	C6     1.8368     3.6952     0.4586	C.2	1	noname	0.0031
10	C7    -2.1014     1.2508    -0.5728	C.2	1	noname	-0.0407
11	C8    -1.9478    -1.1816    -0.9559	C.2	1	noname	-0.0706
12	C9    -0.4297     3.7405     0.1177	C.2	1	noname	-0.0726
13	C10     0.7204     4.5271     0.4022	C.2	1	noname	-0.0202
14	C11     3.2335     4.0756     0.6485	C.3	1	noname	0.0621
15	C12    -2.7025     0.0244    -0.9586	C.2	1	noname	-0.0386
16	C13    -1.7121     4.3465    -0.0858	C.2	1	noname	-0.0409
17	C14     0.6473     5.9484     0.5412	C.2	1	noname	-0.0373
18	C15     3.8533     4.3167    -0.6512	C.2	1	noname	0.1371
19	C16    -1.7904     5.7587     0.0475	C.2	1	noname	-0.0505
20	C17    -0.6402     6.5342     0.3578	C.2	1	noname	-0.0536
21	O2     4.3346     5.4397    -0.9154	O.2	1	noname	-0.2543
22	O3     3.9065     3.3270    -1.5677	O.3	1	noname	-0.2176
23	H1     2.9958     1.2643     0.5478	H	1	noname	0.1387
24	H2    -0.0158    -2.1409    -0.5476	H	1	noname	0.0631
25	H3    -2.6923     2.1666    -0.5602	H	1	noname	0.0642
26	H4    -2.4305    -2.1097    -1.2622	H	1	noname	0.0622
27	H5     3.2310     5.0285     1.1776	H	1	noname	0.0424
28	H6     3.7384     3.2125     1.0826	H	1	noname	0.0424
29	H7    -3.7502     0.0087    -1.2588	H	1	noname	0.0623
30	H8    -2.5943     3.7558    -0.3326	H	1	noname	0.0642
31	H9     1.5245     6.5519     0.7740	H	1	noname	0.0629
32	H10    -2.7503     6.2562    -0.0907	H	1	noname	0.0623
33	H11    -0.7490     7.6141     0.4584	H	1	noname	0.0622
34	H12     3.9520     2.4788    -1.1205	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	5	9	2
9	6	10	1
10	6	8	1
11	7	11	2
12	8	12	1
13	9	13	1
14	9	14	1
15	10	15	2
16	11	15	1
17	12	16	1
18	12	13	2
19	13	17	1
20	14	18	1
21	16	19	2
22	17	20	2
23	18	21	2
24	18	22	1
25	19	20	1
26	3	23	1
27	7	24	1
28	10	25	1
29	11	26	1
30	14	27	1
31	14	28	1
32	15	29	1
33	16	30	1
34	17	31	1
35	19	32	1
36	20	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1