@<TRIPOS>MOLECULE
DB03679
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3635    -4.3535     0.0618	O.2	1	noname	-0.2495
2	C1     2.8678    -3.2115    -0.0008	C.2	1	noname	0.1439
3	O2     4.0780    -3.0385    -0.5736	O.3	1	noname	-0.2139
4	C2     2.1480    -2.0647     0.5454	C.3	1	noname	0.0955
5	N1     2.9505    -1.4413     1.5966	N.3	1	noname	-0.3191
6	C3     1.8880    -1.0482    -0.5682	C.3	1	noname	0.0016
7	C4     1.1683     0.0987    -0.0219	C.2	1	noname	-0.0029
8	C5     1.7189     1.2626     0.5240	C.2	1	noname	-0.0375
9	C6    -0.2124     0.2649     0.0657	C.2	1	noname	-0.0250
10	O3     3.0394     1.5297     0.6103	O.3	1	noname	-0.2725
11	N2     0.7313     2.0803     0.9525	N.3	1	noname	-0.0462
12	C7    -0.4535     1.5020     0.6853	C.2	1	noname	-0.0956
13	C8    -1.2675    -0.5406    -0.4652	C.2	1	noname	-0.0378
14	C9    -1.7778     2.0253     0.8454	C.2	1	noname	-0.0466
15	C10    -2.5872    -0.0068    -0.3583	C.2	1	noname	-0.0537
16	C11    -2.8373     1.2475     0.2895	C.2	1	noname	-0.0513
17	H1     4.7450    -2.9431     0.1102	H	1	noname	0.2213
18	H2     1.2219    -2.4264     0.9920	H	1	noname	0.0575
19	H3     3.9229    -1.2260     1.4290	H	1	noname	0.1191
20	H4     2.5324    -1.2260     2.4904	H	1	noname	0.1191
21	H5     2.8544    -0.6664    -0.8976	H	1	noname	0.0339
22	H6     1.2118    -1.5122    -1.2862	H	1	noname	0.0339
23	H7     3.2958     1.5815     1.5340	H	1	noname	0.2196
24	H8     0.8580     2.9772     1.3994	H	1	noname	0.1547
25	H9    -1.0761    -1.5094    -0.9266	H	1	noname	0.0629
26	H10    -1.9692     2.9654     1.3627	H	1	noname	0.0642
27	H11    -3.4208    -0.5684    -0.7799	H	1	noname	0.0622
28	H12    -3.8594     1.6194     0.3611	H	1	noname	0.0623
@<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	8	11	1
11	9	12	2
12	9	13	1
13	11	12	1
14	12	14	1
15	13	15	2
16	14	16	2
17	15	16	1
18	3	17	1
19	4	18	1
20	5	19	1
21	5	20	1
22	6	21	1
23	6	22	1
24	10	23	1
25	11	24	1
26	13	25	1
27	14	26	1
28	15	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1