@<TRIPOS>MOLECULE
DB03409
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1974     2.3536    -0.3587	O.2	1	noname	-0.2496
2	C1     3.4024     1.5716     0.2061	C.2	1	noname	0.1438
3	O2     3.7286     1.0189     1.3939	O.3	1	noname	-0.2139
4	C2     2.0651     1.2421    -0.4460	C.3	1	noname	0.0943
5	N1     1.9233    -0.1966    -0.7193	N.3	1	noname	-0.3023
6	C3     0.9380     1.6158     0.5362	C.3	1	noname	-0.0238
7	C4     0.4595    -0.3231    -0.8201	C.3	1	noname	0.0105
8	C5    -0.1069     0.5219     0.3525	C.3	1	noname	-0.0239
9	C6    -0.0842    -1.7981    -0.9788	C.3	1	noname	-0.0374
10	C7    -0.3769    -0.3362     1.6210	C.3	1	noname	-0.0489
11	C8    -1.3807    -2.1135    -0.1565	C.3	1	noname	-0.0518
12	C9    -1.3498    -1.5313     1.3093	C.3	1	noname	-0.0529
13	H1     3.7078     0.0622     1.3181	H	1	noname	0.2213
14	H2     2.0171     1.7600    -1.4039	H	1	noname	0.0574
15	H3     2.6370    -0.9051    -0.8125	H	1	noname	0.1232
16	H4     1.3317     1.5300     1.5490	H	1	noname	0.0291
17	H5     0.4965     2.5542     0.2008	H	1	noname	0.0291
18	H6     0.1567     0.1078    -1.7744	H	1	noname	0.0467
19	H7    -1.0820     0.9647     0.1492	H	1	noname	0.0319
20	H8    -0.3727    -1.8966    -2.0254	H	1	noname	0.0282
21	H9     0.6882    -2.4451    -0.5631	H	1	noname	0.0282
22	H10     0.5801    -0.7786     1.8973	H	1	noname	0.0270
23	H11    -0.8992     0.3148     2.3221	H	1	noname	0.0270
24	H12    -2.1912    -1.5956    -0.6695	H	1	noname	0.0267
25	H13    -1.4083    -3.1979    -0.0496	H	1	noname	0.0267
26	H14    -0.9885    -2.3520     1.9290	H	1	noname	0.0267
27	H15    -2.3485    -1.1253     1.4705	H	1	noname	0.0267
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	7	5	1
7	8	6	1
8	7	9	1
9	7	8	1
10	8	10	1
11	9	11	1
12	10	12	1
13	11	12	1
14	3	13	1
15	4	14	1
16	5	15	1
17	6	16	1
18	6	17	1
19	7	18	1
20	8	19	1
21	9	20	1
22	9	21	1
23	10	22	1
24	10	23	1
25	11	24	1
26	11	25	1
27	12	26	1
28	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1