@<TRIPOS>MOLECULE
71586989
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8965     0.2390     1.0400	O.3	1	noname	-0.3459
2	O2    -1.1155     0.1937     0.0448	O.3	1	noname	-0.3501
3	N1     3.4319    -0.5739    -0.0122	N.3	1	noname	-0.3066
4	C1     1.1875     0.6149    -0.3119	C.3	1	noname	0.0968
5	C2     2.2635    -0.3796    -0.9166	C.3	1	noname	0.0264
6	C3    -0.2089     0.6697    -0.9559	C.3	1	noname	0.0775
7	C4    -0.3283    -0.5202     1.0019	C.3	1	noname	0.1552
8	C5    -0.1862    -2.0311     0.5984	C.3	1	noname	-0.0135
9	C6     4.2322    -1.7805    -0.3076	C.3	1	noname	-0.0135
10	C7     4.4275     0.5064     0.0531	C.3	1	noname	-0.0135
11	H1     1.6148     1.6317    -0.3315	H	1	noname	0.0642
12	H2     1.8470    -1.3682    -1.0931	H	1	noname	0.0458
13	H3     2.5638    -0.0553    -1.9204	H	1	noname	0.0458
14	H4    -0.5003     1.6836    -1.2222	H	1	noname	0.0595
15	H5    -0.2621     0.0567    -1.8489	H	1	noname	0.0595
16	H6    -0.8123    -0.4556     1.9935	H	1	noname	0.0918
17	H7    -1.0643    -2.6183     0.8515	H	1	noname	0.0282
18	H8    -0.0393    -2.1639    -0.4860	H	1	noname	0.0282
19	H9     0.6500    -2.4605     1.1502	H	1	noname	0.0282
20	H10     5.0623    -1.8471     0.3957	H	1	noname	0.0394
21	H11     3.6034    -2.6658    -0.2124	H	1	noname	0.0394
22	H12     4.6212    -1.7187    -1.3239	H	1	noname	0.0394
23	H13     5.2195     0.2290     0.7487	H	1	noname	0.0394
24	H14     3.9473     1.4228     0.3961	H	1	noname	0.0394
25	H15     4.8536     0.6681    -0.9370	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	4	1
2	1	7	1
3	2	6	1
4	2	7	1
5	3	5	1
6	3	9	1
7	3	10	1
8	4	5	1
9	4	6	1
10	4	11	1
11	5	12	1
12	5	13	1
13	6	14	1
14	6	15	1
15	7	8	1
16	7	16	1
17	8	17	1
18	8	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	9	22	1
23	10	23	1
24	10	24	1
25	10	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1