@<TRIPOS>MOLECULE
86278360
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2959    -0.8405     4.0336	O.3	1	noname	-0.3946
2	O2    -1.4220     2.8044    -0.5110	O.3	1	noname	-0.2202
3	O3    -2.6467     1.4171     0.2068	O.2	1	noname	-0.2497
4	N1    -0.5854    -0.3197     0.5037	N.3	1	noname	-0.0007
5	N2     0.8168    -0.2523    -1.1535	N.2	1	noname	-0.2371
6	N3    -1.5535     1.8154     0.2666	N.2	1	noname	-0.1965
7	C1    -1.3100    -0.7730     1.6251	C.3	1	noname	-0.0260
8	C2     0.3600    -1.0094    -0.1482	C.2	1	noname	-0.0450
9	C3    -0.7262     0.8704    -0.0877	C.2	1	noname	0.0018
10	C4    -0.5662    -0.3839     2.9042	C.3	1	noname	0.0594
11	C5     0.1688     0.9174    -1.1479	C.2	1	noname	0.0531
12	C6     0.8147    -2.3571     0.1815	C.3	1	noname	0.0400
13	H1    -2.2997    -0.3163     1.6270	H	1	noname	0.0498
14	H2    -1.4103    -1.8574     1.5787	H	1	noname	0.0498
15	H3    -0.4659     0.7005     2.9506	H	1	noname	0.0580
16	H4     0.4235    -0.8406     2.9023	H	1	noname	0.0580
17	H5     0.3054     1.6929    -1.7962	H	1	noname	0.0889
18	H6     0.6390    -3.0177    -0.6675	H	1	noname	0.0309
19	H7     0.2645    -2.7245     1.0477	H	1	noname	0.0309
20	H8     1.8802    -2.3352     0.4104	H	1	noname	0.0309
21	H9    -0.8195    -0.5912     4.8529	H	1	noname	0.2100
22	H10    -2.0432     3.5141    -0.2450	H	1	noname	0.2598
23	H11    -1.3662     2.0812     1.1433	H	1	noname	0.2792
@<TRIPOS>BOND
1	1	10	1
2	1	21	1
3	2	6	1
4	2	22	1
5	3	6	2
6	4	7	1
7	4	8	1
8	4	9	1
9	5	8	2
10	5	11	1
11	6	9	1
12	6	23	1
13	7	10	1
14	7	13	1
15	7	14	1
16	8	12	1
17	9	11	2
18	10	15	1
19	10	16	1
20	11	17	1
21	12	18	1
22	12	19	1
23	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1