@<TRIPOS>MOLECULE
71491790
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.0426    -0.1952    -1.5660	O.3	1	noname	-0.2844
2	O2     0.8692    -5.5174     1.8026	O.3	1	noname	-0.2860
3	N1     0.2723     0.2462    -0.5582	N.2	1	noname	-0.2519
4	C1     2.5690    -0.6422    -0.3402	C.3	1	noname	0.0720
5	C2     2.7535    -0.7821    -1.7817	C.2	1	noname	-0.0218
6	C3     2.1251    -1.9155     0.2194	C.2	1	noname	-0.0607
7	C4     1.5636     0.3828    -0.0754	C.2	1	noname	0.0065
8	C5     4.0013    -0.5500    -2.3485	C.2	1	noname	0.0045
9	C6     1.6813    -1.1474    -2.5874	C.2	1	noname	-0.0454
10	C7     2.8905    -2.5533     1.1886	C.2	1	noname	-0.0410
11	C8     0.9369    -2.4900    -0.2169	C.2	1	noname	-0.0410
12	C9     1.8943     1.5512     0.6902	C.2	1	noname	-0.0237
13	C10     4.1769    -0.6831    -3.7209	C.2	1	noname	-0.0314
14	C11     2.4679    -3.7656     1.7215	C.2	1	noname	-0.0299
15	C12     0.5142    -3.7022     0.3159	C.2	1	noname	-0.0299
16	C13     1.8569    -1.2806    -3.9598	C.2	1	noname	-0.0721
17	C14     1.2797    -4.3400     1.2851	C.2	1	noname	0.0012
18	C15     3.1047    -1.0484    -4.5266	C.2	1	noname	-0.0532
19	C16     0.8628     2.5172     0.9135	C.2	1	noname	-0.0417
20	C17    -0.7445     1.1654    -0.3569	C.2	1	noname	-0.0033
21	C18    -0.4632     2.3506     0.4027	C.2	1	noname	-0.0314
22	H1     3.5134    -0.3524     0.1205	H	1	noname	0.0469
23	H2     0.7656    -1.3177    -2.1715	H	1	noname	0.0626
24	H3     3.7624    -2.1318     1.5089	H	1	noname	0.0626
25	H4     0.3752    -2.0219    -0.9281	H	1	noname	0.0626
26	H5     2.8339     1.6882     1.0629	H	1	noname	0.0642
27	H6     5.0925    -0.5128    -4.1368	H	1	noname	0.0650
28	H7     3.0296    -4.2336     2.4327	H	1	noname	0.0650
29	H8    -0.3576    -4.1237    -0.0044	H	1	noname	0.0650
30	H9     1.0701    -1.5486    -4.5510	H	1	noname	0.0622
31	H10     3.2335    -1.1461    -5.5337	H	1	noname	0.0623
32	H11     1.0803     3.3535     1.4554	H	1	noname	0.0623
33	H12    -1.6754     1.0031    -0.7411	H	1	noname	0.0839
34	H13    -1.1850     3.0510     0.5727	H	1	noname	0.0638
35	H14     5.8409    -0.0714    -2.1209	H	1	noname	0.2182
36	H15     1.5196    -5.8266     2.4672	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	8	1
2	1	35	1
3	2	17	1
4	2	36	1
5	3	7	1
6	3	20	2
7	4	5	1
8	4	6	1
9	4	7	1
10	4	22	1
11	5	8	1
12	5	9	2
13	6	10	2
14	6	11	1
15	7	12	2
16	8	13	2
17	9	16	1
18	9	23	1
19	10	14	1
20	10	24	1
21	11	15	2
22	11	25	1
23	12	19	1
24	12	26	1
25	13	18	1
26	13	27	1
27	14	17	2
28	14	28	1
29	15	17	1
30	15	29	1
31	16	18	2
32	16	30	1
33	18	31	1
34	19	21	2
35	19	32	1
36	20	21	1
37	20	33	1
38	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1