@<TRIPOS>MOLECULE
71586896
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6958    -1.5460    -0.0527	O.2	1	noname	-0.2958
2	O2     2.0008    -4.7097    -0.7824	O.3	1	noname	-0.2148
3	O3     2.5483    -2.5404    -0.5239	O.2	1	noname	-0.2506
4	N1     0.4020    -1.8284     0.6908	N.3	1	noname	-0.0710
5	C1    -0.3540     0.3055     0.0086	C.2	1	noname	-0.0117
6	C2    -0.5788    -1.0511     0.2117	C.2	1	noname	0.0131
7	C3     0.8881     0.8558     0.3025	C.2	1	noname	-0.0184
8	C4    -1.3714     1.1118    -0.4884	C.2	1	noname	-0.0184
9	C5     0.4600    -3.1910     0.3332	C.3	1	noname	0.0891
10	C6     1.1128     2.2124     0.0995	C.2	1	noname	-0.0466
11	C7    -1.1466     2.4684    -0.6914	C.2	1	noname	-0.0466
12	C8     0.0955     3.0187    -0.3975	C.2	1	noname	-0.0448
13	C9     1.7234    -3.4626    -0.3462	C.2	1	noname	0.1423
14	H1     1.0721    -1.4536     1.2836	H	1	noname	0.1319
15	H2    -0.3692    -3.4273    -0.3337	H	1	noname	0.0541
16	H3     0.3907    -3.8055     1.2308	H	1	noname	0.0541
17	H4     1.6347     0.2642     0.6672	H	1	noname	0.0630
18	H5    -2.2829     0.7079    -0.7040	H	1	noname	0.0630
19	H6     2.0243     2.6163     0.3152	H	1	noname	0.0622
20	H7    -1.8932     3.0600    -1.0561	H	1	noname	0.0622
21	H8     0.2604     4.0142    -0.5465	H	1	noname	0.0622
22	H9     2.5676    -4.8380    -1.5715	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	6	2
2	2	13	1
3	2	22	1
4	3	13	2
5	4	6	1
6	4	9	1
7	4	14	1
8	5	6	1
9	5	7	2
10	5	8	1
11	7	10	1
12	7	17	1
13	8	11	2
14	8	18	1
15	9	13	1
16	9	15	1
17	9	16	1
18	10	12	2
19	10	19	1
20	11	12	1
21	11	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1