@<TRIPOS>MOLECULE
DB03551
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2202     3.6277    -3.1403	O.3	1	noname	-0.2445
2	C1     0.6653     2.5088    -2.7134	C.2	1	noname	0.0689
3	N1    -0.5965     2.3296    -2.9314	N.2	1	noname	-0.1653
4	C2     1.5117     1.5367    -2.0181	C.3	1	noname	0.0971
5	C3    -1.2635     1.2839    -2.5122	C.2	1	noname	0.0691
6	N2     2.1667     2.0055    -0.8495	N.4	1	noname	0.0308
7	C4     0.6836     0.3269    -1.4973	C.3	1	noname	0.1391
8	N3    -0.6919     0.3523    -1.8308	N.2	1	noname	-0.2227
9	C5     1.8743     1.3019     0.2179	C.2	1	noname	0.0165
10	C6     0.9894     0.3534    -0.0996	C.2	1	noname	0.0218
11	C7     0.5352    -0.6053     0.8754	C.3	1	noname	0.0281
12	N4     0.7833    -1.9902     0.4575	N.3	1	noname	-0.2959
13	C8     0.2283    -2.9135     1.4254	C.3	1	noname	0.0251
14	C9     2.1962    -2.3668     0.4345	C.3	1	noname	0.0062
15	C10     0.7585    -4.2470     0.9342	C.3	1	noname	0.0730
16	C11     2.1532    -3.9061     0.3708	C.3	1	noname	0.0220
17	O2     0.8962    -5.1355     2.0333	O.3	1	noname	-0.3912
18	C12     2.2384    -4.3587    -1.0883	C.3	1	noname	0.0497
19	O3     2.1987    -5.7769    -1.1470	O.3	1	noname	-0.3958
20	H1     1.4849     4.1613    -2.3874	H	1	noname	0.2198
21	H2     2.2821     1.3621    -2.7692	H	1	noname	0.1104
22	H3    -2.3256     1.1860    -2.7370	H	1	noname	0.1057
23	H4     3.1584     1.8662    -0.9810	H	1	noname	0.2638
24	H5     1.8084     2.9286    -0.6505	H	1	noname	0.2638
25	H6     0.8723    -0.6591    -1.9220	H	1	noname	0.0680
26	H7     2.2974     1.4768     1.2071	H	1	noname	0.1294
27	H8     1.1442    -0.4365     1.7635	H	1	noname	0.0481
28	H9    -0.5471    -0.4868     0.9261	H	1	noname	0.0481
29	H10     0.6777    -2.6878     2.3925	H	1	noname	0.0457
30	H11    -0.8557    -2.8992     1.3115	H	1	noname	0.0457
31	H12     2.6170    -1.9875    -0.4967	H	1	noname	0.0435
32	H13     2.6268    -2.0659     1.3896	H	1	noname	0.0435
33	H14     0.0907    -4.7705     0.2500	H	1	noname	0.0617
34	H15     2.9706    -4.3875     0.9076	H	1	noname	0.0366
35	H16     0.8568    -6.0417     1.7190	H	1	noname	0.2105
36	H17     1.3369    -4.0211    -1.5997	H	1	noname	0.0567
37	H18     3.2196    -4.0790    -1.4718	H	1	noname	0.0567
38	H19     2.1888    -6.1339    -0.2559	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	1
7	5	8	2
8	6	9	1
9	7	10	1
10	7	8	1
11	9	10	2
12	10	11	1
13	11	12	1
14	12	13	1
15	12	14	1
16	13	15	1
17	14	16	1
18	15	17	1
19	15	16	1
20	16	18	1
21	18	19	1
22	1	20	1
23	4	21	1
24	5	22	1
25	6	23	1
26	6	24	1
27	7	25	1
28	9	26	1
29	11	27	1
30	11	28	1
31	13	29	1
32	13	30	1
33	14	31	1
34	14	32	1
35	15	33	1
36	16	34	1
37	17	35	1
38	18	36	1
39	18	37	1
40	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1