@<TRIPOS>MOLECULE
91667947
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5581     2.9611     0.4199	O.3	1	noname	-0.2139
2	O2    -1.5738     4.1589     2.1510	O.2	1	noname	-0.2495
3	N1    -0.3728     0.3608     1.9587	N.3	1	noname	-0.0161
4	N2     0.1627    -0.4311     2.8396	N.2	1	noname	-0.2897
5	N3    -3.7876     2.8260     0.2937	N.3	1	noname	-0.3191
6	C1    -2.5287     0.8222     0.7858	C.3	1	noname	0.0124
7	C2    -1.6625     0.0642     1.7170	C.2	1	noname	-0.0566
8	C3    -1.9808    -1.0314     2.5041	C.2	1	noname	-0.0010
9	C4    -2.8333     2.2639     1.2354	C.3	1	noname	0.0966
10	C5    -0.8047    -1.2933     3.2060	C.2	1	noname	0.0133
11	C6    -3.1597    -1.7675     2.7088	C.2	1	noname	-0.0291
12	C7    -0.7861    -2.3193     4.1647	C.2	1	noname	-0.0095
13	C8    -1.6184     3.2191     1.3280	C.2	1	noname	0.1439
14	C9    -3.1579    -2.7640     3.7017	C.2	1	noname	-0.0514
15	C10    -1.9693    -3.0416     4.4324	C.2	1	noname	-0.0448
16	H1    -3.4640     0.2822     0.6386	H	1	noname	0.0351
17	H2    -1.9952     0.9398    -0.1574	H	1	noname	0.0351
18	H3    -3.3564     2.2276     2.1879	H	1	noname	0.0575
19	H4     0.1003     1.0950     1.5453	H	1	noname	0.1750
20	H5    -4.0052    -1.5700     2.1694	H	1	noname	0.0630
21	H6     0.0687    -2.5339     4.6738	H	1	noname	0.0646
22	H7    -4.0253    -3.2892     3.9048	H	1	noname	0.0622
23	H8    -4.0104     3.7855     0.5662	H	1	noname	0.1192
24	H9    -4.6412     2.2640     0.2973	H	1	noname	0.1192
25	H10    -1.9827    -3.7694     5.1608	H	1	noname	0.0623
26	H11     0.0020     3.6982     0.0984	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	13	1
2	1	26	1
3	2	13	2
4	3	4	1
5	3	7	1
6	3	19	1
7	4	10	2
8	5	9	1
9	5	23	1
10	5	24	1
11	6	7	1
12	6	9	1
13	6	16	1
14	6	17	1
15	7	8	2
16	8	10	1
17	8	11	1
18	9	13	1
19	9	18	1
20	10	12	1
21	11	14	2
22	11	20	1
23	12	15	2
24	12	21	1
25	14	15	1
26	14	22	1
27	15	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1