@<TRIPOS>MOLECULE
DB00871
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.7178     0.3709    -1.2355	O.3	1	noname	-0.2840
2	C1    -2.5851     1.6694    -0.8909	C.2	1	noname	0.0102
3	C2    -3.6943     2.5072    -0.8981	C.2	1	noname	-0.0045
4	C3    -1.3394     2.1686    -0.5288	C.2	1	noname	-0.0320
5	C4    -3.5577     3.8442    -0.5432	C.2	1	noname	0.0102
6	C5    -1.2028     3.5056    -0.1739	C.2	1	noname	-0.0238
7	O2    -4.6349     4.6579    -0.5502	O.3	1	noname	-0.2840
8	C6    -2.3119     4.3434    -0.1812	C.2	1	noname	-0.0320
9	C7     0.1056     4.0299     0.2064	C.3	1	noname	0.0917
10	O3     0.7754     4.5140    -0.9484	O.3	1	noname	-0.3870
11	C8    -0.0742     5.1723     1.2081	C.3	1	noname	0.0260
12	N1     1.2360     5.6974     1.5889	N.3	1	noname	-0.3091
13	C9     1.0641     6.7890     2.5462	C.3	1	noname	0.0099
14	C10     2.4353     7.3385     2.9447	C.3	1	noname	-0.0474
15	C11     0.2347     7.9035     1.9052	C.3	1	noname	-0.0474
16	C12     0.3424     6.2674     3.7903	C.3	1	noname	-0.0474
17	H1    -2.7727    -0.1667    -0.4421	H	1	noname	0.2181
18	H2    -4.6711     2.1158    -1.1820	H	1	noname	0.0677
19	H3    -0.4697     1.5117    -0.5231	H	1	noname	0.0653
20	H4    -4.8940     4.8536     0.3532	H	1	noname	0.2181
21	H5    -2.2048     5.3918     0.0971	H	1	noname	0.0653
22	H6     0.7114     3.2143     0.6011	H	1	noname	0.0665
23	H7     1.0812     3.7723    -1.4755	H	1	noname	0.2109
24	H8    -0.5848     5.9852     0.6917	H	1	noname	0.0458
25	H9    -0.5034     4.7489     2.1162	H	1	noname	0.0458
26	H10     2.1227     5.3584     1.2441	H	1	noname	0.1228
27	H11     2.5125     7.3694     4.0315	H	1	noname	0.0249
28	H12     3.2162     6.6926     2.5432	H	1	noname	0.0249
29	H13     2.5541     8.3449     2.5432	H	1	noname	0.0249
30	H14    -0.2192     8.5136     2.6861	H	1	noname	0.0249
31	H15     0.8803     8.5268     1.2864	H	1	noname	0.0249
32	H16    -0.5477     7.4642     1.2864	H	1	noname	0.0249
33	H17     0.3469     5.1774     3.7828	H	1	noname	0.0249
34	H18     0.8530     6.6266     4.6839	H	1	noname	0.0249
35	H19    -0.6867     6.6266     3.7908	H	1	noname	0.0249
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	9	1
9	6	8	1
10	9	10	1
11	9	11	1
12	11	12	1
13	12	13	1
14	13	14	1
15	13	15	1
16	13	16	1
17	1	17	1
18	3	18	1
19	4	19	1
20	7	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	11	25	1
26	12	26	1
27	14	27	1
28	14	28	1
29	14	29	1
30	15	30	1
31	15	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1