@<TRIPOS>MOLECULE
71586855
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6598     1.9165    -2.1893	O.3	1	noname	-0.3869
2	O2     2.8343    -0.8623     2.1538	O.3	1	noname	-0.2751
3	O3     1.0520     1.0725     4.9209	O.2	1	noname	-0.1790
4	N1    -0.9231     2.8308     0.5873	N.3	1	noname	-0.1319
5	N2     1.7703     0.8052     4.0435	N.2	1	noname	-0.0566
6	C1    -0.1693     1.3949    -1.1454	C.3	1	noname	0.0938
7	C2    -1.2018     2.4639    -0.7573	C.3	1	noname	0.0332
8	C3     0.4980     1.1344     0.1259	C.2	1	noname	-0.0149
9	C4    -0.0215     1.9995     1.1223	C.2	1	noname	-0.0116
10	C5     1.4804     0.1419     0.4504	C.2	1	noname	-0.0011
11	C6     0.3972     1.9147     2.4886	C.2	1	noname	0.0172
12	C7    -0.4248     4.1494     0.6212	C.3	1	noname	-0.0083
13	C8     1.9062     0.0546     1.8066	C.2	1	noname	0.0375
14	C9     1.3650     0.9248     2.8088	C.2	1	noname	0.0439
15	H1    -0.6508     0.4845    -1.4658	H	1	noname	0.0666
16	H2    -2.2041     2.0400    -0.8179	H	1	noname	0.0465
17	H3    -1.1409     3.3143    -1.4365	H	1	noname	0.0465
18	H4     1.8605    -0.4790    -0.2640	H	1	noname	0.0655
19	H5     0.0174     2.5378     3.2013	H	1	noname	0.0664
20	H6    -0.2111     4.4307     1.6523	H	1	noname	0.0398
21	H7    -1.1684     4.8295     0.2056	H	1	noname	0.0398
22	H8     0.4902     4.2073     0.0317	H	1	noname	0.0398
23	H9     1.3238     1.2431    -2.4464	H	1	noname	0.2109
24	H10     3.1005    -1.3738     1.3614	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	6	1
2	1	23	1
3	2	13	1
4	2	24	1
5	3	5	2
6	4	7	1
7	4	9	1
8	4	12	1
9	5	14	1
10	6	7	1
11	6	8	1
12	6	15	1
13	7	16	1
14	7	17	1
15	8	9	1
16	8	10	2
17	9	11	2
18	10	13	1
19	10	18	1
20	11	14	1
21	11	19	1
22	12	20	1
23	12	21	1
24	12	22	1
25	13	14	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1