@<TRIPOS>MOLECULE
71369749
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7795     1.0177     0.7436	O.3	1	noname	-0.2131
2	O2    -0.2448     0.2050     2.1777	O.2	1	noname	-0.2484
3	N1    -0.1598    -0.4680    -1.2344	N.3	1	noname	-0.3168
4	C1     0.3794     0.2594    -0.0865	C.3	1	noname	0.1024
5	C2     1.6755    -0.3395     0.4771	C.3	1	noname	-0.0254
6	C3     0.8643     1.6007    -0.6360	C.3	1	noname	-0.0254
7	C4     2.6750    -0.0441    -0.6411	C.3	1	noname	-0.0509
8	C5     2.2617     1.3222    -1.2038	C.3	1	noname	-0.0509
9	C6    -0.5635     0.4922     1.0036	C.2	1	noname	0.1453
10	H1     1.9656     0.2036     1.3765	H	1	noname	0.0291
11	H2     1.5960    -1.3986     0.7224	H	1	noname	0.0291
12	H3     0.2033     1.9243    -1.4401	H	1	noname	0.0291
13	H4     0.9488     2.3125     0.1852	H	1	noname	0.0291
14	H5     2.5827    -0.8009    -1.4202	H	1	noname	0.0267
15	H6     3.7083    -0.0594    -0.2945	H	1	noname	0.0267
16	H7     2.2076     1.2661    -2.2910	H	1	noname	0.0267
17	H8     2.9323     2.1226    -0.8912	H	1	noname	0.0267
18	H9    -0.3657    -1.4311    -0.9614	H	1	noname	0.1194
19	H10    -1.0178    -0.0134    -1.5533	H	1	noname	0.1194
20	H11    -2.2293     1.5691     1.4175	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	20	1
3	2	9	2
4	3	4	1
5	3	18	1
6	3	19	1
7	4	5	1
8	4	6	1
9	4	9	1
10	5	7	1
11	5	10	1
12	5	11	1
13	6	8	1
14	6	12	1
15	6	13	1
16	7	8	1
17	7	14	1
18	7	15	1
19	8	16	1
20	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1