@<TRIPOS>MOLECULE
86278122
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6293    -0.1633     0.0161	O.3	1	noname	-0.3855
2	N1     2.0718     2.0167    -2.1105	N.3	1	noname	-0.1069
3	N2     1.1645     0.0238    -1.3831	N.2	1	noname	-0.2286
4	C1     3.1536     2.8825    -1.8358	C.3	1	noname	0.0075
5	C2     3.9535     2.1150    -0.7655	C.3	1	noname	-0.0069
6	C3     2.9644     1.0765    -0.2068	C.3	1	noname	0.1079
7	C4     2.0147     0.9917    -1.2673	C.2	1	noname	-0.0401
8	C5     1.1496     2.2185    -3.1971	C.3	1	noname	0.0315
9	C6     0.2193     1.0478    -3.3583	C.2	1	noname	-0.0057
10	C7     0.2641    -0.0093    -2.3804	C.2	1	noname	0.0079
11	C8    -0.6266     0.9613    -4.5061	C.2	1	noname	-0.0395
12	C9    -0.5697    -1.1617    -2.5017	C.2	1	noname	-0.0161
13	C10    -1.4160    -0.2179    -4.6529	C.2	1	noname	-0.0546
14	C11    -1.3900    -1.2619    -3.6647	C.2	1	noname	-0.0478
15	H1     2.7759     3.8121    -1.4101	H	1	noname	0.0436
16	H2     3.7194     3.1616    -2.7247	H	1	noname	0.0436
17	H3     4.2479     2.8006     0.0291	H	1	noname	0.0310
18	H4     4.7859     1.5974    -1.2423	H	1	noname	0.0310
19	H5     2.4805     1.4207     0.7213	H	1	noname	0.0679
20	H6     0.5681     3.1226    -3.0169	H	1	noname	0.0486
21	H7     1.6549     2.4781    -4.1273	H	1	noname	0.0486
22	H8    -0.6646     1.7135    -5.1940	H	1	noname	0.0626
23	H9     4.3562    -0.0329     0.6602	H	1	noname	0.2110
24	H10    -0.5786    -1.8862    -1.7838	H	1	noname	0.0645
25	H11    -2.0106    -0.3223    -5.4751	H	1	noname	0.0622
26	H12    -1.9695    -2.0907    -3.7978	H	1	noname	0.0623
@<TRIPOS>BOND
1	6	1	1
2	1	23	1
3	2	4	1
4	2	7	1
5	2	8	1
6	3	7	2
7	3	10	1
8	4	5	1
9	4	15	1
10	4	16	1
11	5	6	1
12	5	17	1
13	5	18	1
14	6	7	1
15	6	19	1
16	8	9	1
17	8	20	1
18	8	21	1
19	9	10	1
20	9	11	2
21	10	12	2
22	11	13	1
23	11	22	1
24	12	14	1
25	12	24	1
26	13	14	2
27	13	25	1
28	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1