@<TRIPOS>MOLECULE
DB02352
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8705    -1.2181    -0.3402	O.3	1	noname	-0.2620
2	C1     0.0497    -0.2491    -0.5318	C.2	1	noname	0.0153
3	C2    -2.0553    -0.6466     0.1946	C.3	1	noname	0.0786
4	C3     0.9805     0.1004     0.5033	C.2	1	noname	0.0481
5	C4     0.1257     0.4619    -1.7773	C.2	1	noname	-0.0163
6	C5    -3.0506    -1.6945     0.4018	C.2	1	noname	-0.0434
7	N1     1.9078     1.1024     0.2605	N.2	1	noname	-0.2622
8	N2     0.9538    -0.5312     1.6849	N.3	1	noname	-0.1074
9	C6     1.0953     1.4956    -2.0039	C.2	1	noname	-0.0530
10	C7    -3.5499    -1.9366     1.6762	C.2	1	noname	-0.0497
11	C8    -3.4987    -2.4501    -0.6753	C.2	1	noname	-0.0497
12	C9     2.0001     1.8044    -0.9374	C.2	1	noname	-0.0211
13	C10    -4.4974    -2.9343     1.8735	C.2	1	noname	-0.0585
14	C11    -4.4462    -3.4478    -0.4781	C.2	1	noname	-0.0585
15	C12    -4.9456    -3.6899     0.7964	C.2	1	noname	-0.0611
16	H1    -1.7896    -0.2543     1.1763	H	1	noname	0.0623
17	H2    -2.4453     0.0226    -0.5724	H	1	noname	0.0623
18	H3    -0.5735     0.2095    -2.5745	H	1	noname	0.0651
19	H4     1.8182    -0.7692     2.1499	H	1	noname	0.1258
20	H5     0.0692    -0.7692     2.1104	H	1	noname	0.1258
21	H6     1.1429     2.0280    -2.9538	H	1	noname	0.0639
22	H7    -3.1984    -1.3441     2.5209	H	1	noname	0.0626
23	H8    -3.1072    -2.2603    -1.6747	H	1	noname	0.0626
24	H9     2.7623     2.5771    -1.0379	H	1	noname	0.0839
25	H10    -4.8889    -3.1242     2.8729	H	1	noname	0.0622
26	H11    -4.7977    -4.0404    -1.3227	H	1	noname	0.0622
27	H12    -5.6886    -4.4723     0.9511	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	2
9	6	10	2
10	6	11	1
11	7	12	2
12	9	12	1
13	10	13	1
14	11	14	2
15	13	15	2
16	14	15	1
17	3	16	1
18	3	17	1
19	5	18	1
20	8	19	1
21	8	20	1
22	9	21	1
23	10	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	14	26	1
28	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1