@<TRIPOS>MOLECULE
86278339
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8971    -3.5879     0.1015	O.3	1	noname	-0.2854
2	O2    -1.9060     3.0778     0.0707	O.2	1	noname	-0.3013
3	N1     1.8057     1.1890     0.0197	N.3	1	noname	-0.0456
4	C1    -0.0684    -0.0105    -0.0337	C.2	1	noname	-0.0191
5	C2     1.3402    -0.0676    -0.0151	C.2	1	noname	-0.0884
6	C3    -0.4378     1.3247     0.0143	C.2	1	noname	-0.0160
7	C4     1.2514    -2.5017     0.1224	C.2	1	noname	-0.0151
8	C5     2.0417    -1.3044     0.0561	C.2	1	noname	-0.0377
9	C6    -0.8687    -1.1854    -0.0258	C.2	1	noname	-0.0044
10	C7    -0.1831    -2.4427     0.0665	C.2	1	noname	0.0016
11	C8     0.7601     2.0408     0.0495	C.2	1	noname	-0.0696
12	C9     1.9145    -3.7963     0.2484	C.3	1	noname	0.0113
13	C10    -1.7282     1.8413     0.0252	C.2	1	noname	0.0955
14	H1     3.0612    -1.3387     0.0598	H	1	noname	0.0646
15	H2    -1.8859    -1.1369    -0.0834	H	1	noname	0.0657
16	H3     2.7416     1.4441     0.0229	H	1	noname	0.1522
17	H4     0.8337     3.0572     0.0916	H	1	noname	0.0796
18	H5     2.5053    -3.8144     1.1642	H	1	noname	0.0280
19	H6     1.1647    -4.5867     0.2840	H	1	noname	0.0280
20	H7     2.5686    -3.9544    -0.6091	H	1	noname	0.0280
21	H8    -2.5300     1.2115    -0.0041	H	1	noname	0.1098
22	H9    -1.8533    -3.3782     0.0552	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	10	1
2	1	22	1
3	2	13	2
4	3	5	1
5	3	11	1
6	3	16	1
7	4	5	2
8	4	6	1
9	4	9	1
10	5	8	1
11	6	11	2
12	6	13	1
13	7	8	2
14	7	10	1
15	7	12	1
16	8	14	1
17	9	10	2
18	9	15	1
19	11	17	1
20	12	18	1
21	12	19	1
22	12	20	1
23	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1