@<TRIPOS>MOLECULE
71586991
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4434    -0.3740     0.3549	O.3	1	noname	-0.3459
2	O2    -0.4969     1.5659     1.0577	O.3	1	noname	-0.3501
3	N1     3.1553    -0.9900    -0.1837	N.3	1	noname	-0.3066
4	C1     1.2930     0.5910    -0.2259	C.3	1	noname	0.0968
5	C2     2.7319     0.3459     0.2328	C.3	1	noname	0.0264
6	C3     0.7547     1.8550     0.4404	C.3	1	noname	0.0775
7	C4    -0.7846     0.3339     0.4279	C.3	1	noname	0.1552
8	C5    -1.3083     0.5939    -0.9860	C.3	1	noname	-0.0135
9	C6     4.5302    -1.2242     0.2546	C.3	1	noname	-0.0135
10	C7     3.0842    -1.0916    -1.6404	C.3	1	noname	-0.0135
11	H1     1.1418     0.6336    -1.3045	H	1	noname	0.0642
12	H2     2.7849     0.4217     1.3189	H	1	noname	0.0458
13	H3     3.3883     1.0915    -0.2159	H	1	noname	0.0458
14	H4     0.6180     2.6321    -0.3116	H	1	noname	0.0595
15	H5     1.4325     2.2126     1.2155	H	1	noname	0.0595
16	H6    -1.5558    -0.2292     0.9537	H	1	noname	0.0918
17	H7    -2.2514     1.1375    -0.9299	H	1	noname	0.0282
18	H8    -1.4665    -0.3567    -1.4954	H	1	noname	0.0282
19	H9    -0.5799     1.1861    -1.5400	H	1	noname	0.0282
20	H10     4.8459    -2.2202    -0.0559	H	1	noname	0.0394
21	H11     4.5832    -1.1484     1.3407	H	1	noname	0.0394
22	H12     5.1866    -0.4786    -0.1941	H	1	noname	0.0394
23	H13     3.3999    -2.0876    -1.9510	H	1	noname	0.0394
24	H14     2.0591    -0.9170    -1.9672	H	1	noname	0.0394
25	H15     3.7406    -0.3460    -2.0891	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