@<TRIPOS>MOLECULE
86278127
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3931     2.9482    -2.3935	O.3	1	noname	0.0000
2	O2     2.4315    -1.2458    -2.3080	O.3	1	noname	0.0000
3	O3     3.1152     0.8310    -2.8485	O.2	1	noname	0.0000
4	N1     0.4215     0.3606    -0.9344	N.3	1	noname	0.0000
5	C1     0.8412     0.5970    -2.3068	C.3	1	noname	0.0000
6	C2    -0.7178     1.2748    -0.8011	C.3	1	noname	0.0000
7	C3     0.8711     2.1180    -2.4206	C.3	1	noname	0.0000
8	C4    -0.3213     2.5413    -1.5556	C.3	1	noname	0.0000
9	C5    -0.0423    -1.0191    -0.7974	C.3	1	noname	0.0000
10	C6     1.4863     0.7512    -0.0119	C.3	1	noname	0.0000
11	C7     2.1878     0.0678    -2.5019	C.2	1	noname	0.0000
12	H1     0.0930     0.1956    -2.9903	H	1	noname	0.0000
13	H2    -1.5960     0.8319    -1.2709	H	1	noname	0.0000
14	H3    -0.9739     1.4727     0.2398	H	1	noname	0.0000
15	H4     0.6905     2.4085    -3.4556	H	1	noname	0.0000
16	H5     1.7955     2.5029    -1.9901	H	1	noname	0.0000
17	H6    -0.0108     3.3500    -0.8940	H	1	noname	0.0000
18	H7     1.1632     0.5707     1.0133	H	1	noname	0.0000
19	H8    -0.3568    -1.1963     0.2311	H	1	noname	0.0000
20	H9    -0.8841    -1.1879    -1.4690	H	1	noname	0.0000
21	H10     0.7683    -1.7019    -1.0522	H	1	noname	0.0000
22	H11     1.7089     1.8104    -0.1415	H	1	noname	0.0000
23	H12     2.3807     0.1639    -0.2197	H	1	noname	0.0000
24	H13    -2.1855     3.1288    -1.8458	H	1	noname	0.0000
25	H14     3.3154    -1.5406    -2.0043	H	1	noname	0.0000
@<TRIPOS>BOND
1	8	1	1
2	1	24	1
3	2	11	1
4	2	25	1
5	3	11	2
6	4	5	1
7	4	6	1
8	4	9	1
9	4	10	1
10	5	7	1
11	5	11	1
12	5	12	1
13	6	8	1
14	6	13	1
15	6	14	1
16	7	8	1
17	7	15	1
18	7	16	1
19	8	17	1
20	9	19	1
21	9	20	1
22	9	21	1
23	10	18	1
24	10	22	1
25	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1