@<TRIPOS>MOLECULE
DB02191
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5431    -2.4263    -0.1526	O.2	1	noname	-0.2899
2	C1    -0.6431    -1.2613     0.2890	C.2	1	noname	0.1128
3	C2     0.2634    -0.1235    -0.0259	C.2	1	noname	0.0094
4	C3    -1.7310    -0.7451     1.2603	C.3	1	noname	0.0626
5	C4     1.6446    -0.1213    -0.1438	C.2	1	noname	-0.0133
6	C5    -0.1288     1.2240    -0.1132	C.2	1	noname	-0.0477
7	N1    -2.3891     0.5023     0.7556	N.3	1	noname	-0.2874
8	C6     2.0234     1.2130    -0.4361	C.2	1	noname	-0.0756
9	C7     2.6070    -1.1549     0.0670	C.2	1	noname	-0.0344
10	N2     0.9365     2.0051    -0.4066	N.3	1	noname	-0.0288
11	C8    -1.5267     1.6549     0.2093	C.3	1	noname	0.0491
12	C9    -3.5080     0.8336     1.6935	C.3	1	noname	-0.0006
13	C10     3.3860     1.5962    -0.5746	C.2	1	noname	-0.0425
14	C11     3.9728    -0.7704    -0.0388	C.2	1	noname	-0.0532
15	C12    -1.5240     2.9682     1.0590	C.3	1	noname	-0.0320
16	C13    -3.2309     1.9674     2.7300	C.3	1	noname	-0.0403
17	C14     4.3533     0.5738    -0.3428	C.2	1	noname	-0.0510
18	C15    -1.8743     2.6997     2.5429	C.3	1	noname	-0.0502
19	H1    -2.5155    -1.5014     1.2857	H	1	noname	0.0516
20	H2    -1.2217    -0.4570     2.1799	H	1	noname	0.0516
21	H3     2.3154    -2.1799     0.2959	H	1	noname	0.0629
22	H4     0.9228     3.0011    -0.5737	H	1	noname	0.1525
23	H5    -2.0032     1.8944    -0.7413	H	1	noname	0.0531
24	H6    -4.3042     1.2024     1.0468	H	1	noname	0.0431
25	H7    -3.6550    -0.0775     2.2734	H	1	noname	0.0431
26	H8     3.6722     2.6133    -0.8426	H	1	noname	0.0642
27	H9     4.7456    -1.5232     0.1167	H	1	noname	0.0622
28	H10    -0.4982     3.3367     1.0536	H	1	noname	0.0286
29	H11    -2.3287     3.5904     0.6673	H	1	noname	0.0286
30	H12    -3.9972     2.7224     2.5546	H	1	noname	0.0279
31	H13    -3.1648     1.4728     3.6990	H	1	noname	0.0279
32	H14     5.4120     0.8266    -0.3995	H	1	noname	0.0623
33	H15    -1.1099     2.0156     2.9112	H	1	noname	0.0268
34	H16    -1.9958     3.6802     3.0033	H	1	noname	0.0268
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	6	11	1
11	7	12	1
12	11	7	1
13	8	13	1
14	8	10	1
15	9	14	2
16	11	15	1
17	12	16	1
18	13	17	2
19	14	17	1
20	15	18	1
21	16	18	1
22	4	19	1
23	4	20	1
24	9	21	1
25	10	22	1
26	11	23	1
27	12	24	1
28	12	25	1
29	13	26	1
30	14	27	1
31	15	28	1
32	15	29	1
33	16	30	1
34	16	31	1
35	17	32	1
36	18	33	1
37	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1