@<TRIPOS>MOLECULE
119058008
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2485     1.6102    -1.7883	O.3	1	noname	-0.2452
2	O2    -3.9815    -0.6976    -2.0330	O.3	1	noname	-0.2462
3	N1     1.9275     2.0575    -1.4289	N.3	1	noname	-0.3270
4	C1     1.0295     1.8562    -0.2864	C.3	1	noname	0.0122
5	C2    -0.4065     2.2615    -0.6662	C.3	1	noname	0.0292
6	C3     1.0165     0.3713     0.1319	C.3	1	noname	0.0152
7	C4    -1.0715     0.9759    -0.8245	C.2	1	noname	-0.0160
8	C5    -0.2662    -0.0942    -0.3774	C.2	1	noname	-0.0589
9	C6    -2.3487     0.7218    -1.3573	C.2	1	noname	0.0240
10	C7    -0.6968    -1.4428    -0.4557	C.2	1	noname	-0.0630
11	C8    -2.7722    -0.6112    -1.4747	C.2	1	noname	0.0217
12	C9    -1.9776    -1.7039    -1.0299	C.2	1	noname	-0.0277
13	C10    -4.2989     0.7044    -2.1779	C.3	1	noname	0.1587
14	H1     1.3683     2.4700     0.5413	H	1	noname	0.0469
15	H2    -0.8612     2.8063     0.1612	H	1	noname	0.0333
16	H3    -0.4917     2.9041    -1.5425	H	1	noname	0.0333
17	H4     1.0230     0.3001     1.2195	H	1	noname	0.0332
18	H5     1.8625    -0.2184    -0.2211	H	1	noname	0.0332
19	H6    -0.1097    -2.2030    -0.1125	H	1	noname	0.0626
20	H7     2.8775     1.7860    -1.1675	H	1	noname	0.1187
21	H8     1.6133     1.4842    -2.2144	H	1	noname	0.1187
22	H9    -2.3183    -2.6611    -1.1198	H	1	noname	0.0651
23	H10    -5.2032     0.9325    -1.6136	H	1	noname	0.0892
24	H11    -4.5799     0.9039    -3.2120	H	1	noname	0.0892
@<TRIPOS>BOND
1	1	9	1
2	1	13	1
3	2	11	1
4	2	13	1
5	3	4	1
6	3	20	1
7	3	21	1
8	4	5	1
9	4	6	1
10	4	14	1
11	5	7	1
12	5	15	1
13	5	16	1
14	6	8	1
15	6	17	1
16	6	18	1
17	7	8	2
18	7	9	1
19	8	10	1
20	9	11	2
21	10	12	2
22	10	19	1
23	11	12	1
24	12	22	1
25	13	23	1
26	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1