@<TRIPOS>MOLECULE
86278145
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8753    -1.1205     0.5728	O.3	1	noname	-0.3760
2	O2    -1.4269    -1.4983    -2.6780	O.2	1	noname	-0.2858
3	N1    -2.3657    -2.9156    -1.3377	N.3	1	noname	-0.0790
4	C1    -0.8286    -1.4387    -0.3305	C.3	1	noname	0.1595
5	C2     0.1313    -0.2697    -0.3487	C.2	1	noname	-0.0375
6	C3    -0.1612    -2.7185     0.1987	C.3	1	noname	-0.0231
7	C4    -1.5127    -1.8993    -1.5254	C.2	1	noname	0.0507
8	C5     0.7512     0.1805     0.8568	C.2	1	noname	-0.0458
9	C6     0.4550     0.4379    -1.5435	C.2	1	noname	-0.0458
10	C7     1.6657     1.2595     0.8524	C.2	1	noname	-0.0575
11	C8     1.3615     1.5212    -1.5546	C.2	1	noname	-0.0575
12	C9     1.9703     1.9303    -0.3533	C.2	1	noname	-0.0609
13	H1     0.6541    -3.0044    -0.4659	H	1	noname	0.0268
14	H2    -0.8965    -3.5221     0.2383	H	1	noname	0.0268
15	H3     0.2321    -2.5362     1.1988	H	1	noname	0.0268
16	H4     0.5566    -0.2810     1.7659	H	1	noname	0.0626
17	H5     0.0707     0.2163    -2.4440	H	1	noname	0.0626
18	H6    -2.3322    -0.3080     0.2701	H	1	noname	0.2120
19	H7     2.1240     1.5583     1.7436	H	1	noname	0.0622
20	H8     1.5744     2.0029    -2.4288	H	1	noname	0.0622
21	H9     2.6337     2.7164    -0.3667	H	1	noname	0.0622
22	H10    -2.4883    -3.2883    -0.4506	H	1	noname	0.1272
23	H11    -2.8605    -3.2785    -2.0889	H	1	noname	0.1272
@<TRIPOS>BOND
1	4	1	1
2	1	18	1
3	2	7	2
4	3	7	1
5	3	22	1
6	3	23	1
7	4	5	1
8	4	6	1
9	4	7	1
10	5	8	2
11	5	9	1
12	6	13	1
13	6	14	1
14	6	15	1
15	8	10	1
16	8	16	1
17	9	11	2
18	9	17	1
19	10	12	2
20	10	19	1
21	11	12	1
22	11	20	1
23	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1