@<TRIPOS>MOLECULE
91825926
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0781     0.6064    -3.1685	O.3	1	noname	-0.2139
2	O2     1.8442    -0.3862    -1.2976	O.2	1	noname	-0.2494
3	N1    -1.4219    -0.3678    -2.0139	N.3	1	noname	-0.3189
4	C1    -0.3245    -0.2491     0.1658	C.3	1	noname	-0.0077
5	C2     0.7533     0.4833     0.9675	C.3	1	noname	-0.0452
6	C3    -0.7228     0.8260     1.1789	C.3	1	noname	-0.0452
7	C4    -0.3920     0.3321    -1.2479	C.3	1	noname	0.0967
8	C5    -0.4166    -1.7341     0.5227	C.3	1	noname	-0.0576
9	C6     0.9011     0.1652    -1.9049	C.2	1	noname	0.1440
10	H1     1.2171     1.2453     0.3411	H	1	noname	0.0273
11	H2     1.2469    -0.0698     1.7666	H	1	noname	0.0273
12	H3    -0.9600     1.7508     0.6529	H	1	noname	0.0273
13	H4    -0.9688     0.5931     2.2149	H	1	noname	0.0273
14	H5    -0.6376     1.3927    -1.1933	H	1	noname	0.0577
15	H6    -1.1970    -2.2039    -0.0759	H	1	noname	0.0237
16	H7    -0.6572    -1.8393     1.5805	H	1	noname	0.0237
17	H8     0.5389    -2.2169     0.3176	H	1	noname	0.0237
18	H9    -2.3270    -0.2509    -1.5540	H	1	noname	0.1192
19	H10    -1.4670     0.0205    -2.9582	H	1	noname	0.1192
20	H11     1.9629     0.9081    -3.4627	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	20	1
3	2	9	2
4	7	3	1
5	3	18	1
6	3	19	1
7	4	5	1
8	4	6	1
9	4	7	1
10	4	8	1
11	5	6	1
12	5	10	1
13	5	11	1
14	6	12	1
15	6	13	1
16	7	9	1
17	7	14	1
18	8	15	1
19	8	16	1
20	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1