@<TRIPOS>MOLECULE
101043011
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3845     2.6507    -0.2531	O.3	1	noname	-0.2759
2	O2    -2.4490    -2.1972     0.1548	O.2	1	noname	-0.2773
3	N1    -0.8209    -0.9144    -0.7118	N.3	1	noname	-0.1428
4	C1     0.2912    -0.1041    -0.6988	C.2	1	noname	-0.0337
5	C2     2.3294     1.8115    -0.3810	C.2	1	noname	-0.0006
6	C3     1.2682    -0.2264     0.3081	C.2	1	noname	-0.0263
7	C4     0.4209     0.9311    -1.6503	C.2	1	noname	-0.0263
8	C5     2.1963     0.7729     0.5666	C.2	1	noname	-0.0228
9	C6     1.4659     1.8746    -1.5011	C.2	1	noname	-0.0228
10	C7     4.5268     2.0269    -0.8813	C.3	1	noname	0.0505
11	C8     5.7006     2.9927    -0.7311	C.3	1	noname	-0.0410
12	C9    -1.5193    -1.3905     0.3866	C.2	1	noname	0.1269
13	C10    -1.3643    -1.0520     1.8219	C.3	1	noname	0.0098
14	H1     1.2734    -1.0465     0.9412	H	1	noname	0.0640
15	H2    -0.2412     1.0303    -2.4355	H	1	noname	0.0640
16	H3     2.7779     0.7404     1.4134	H	1	noname	0.0650
17	H4     1.6325     2.5789    -2.2368	H	1	noname	0.0650
18	H5    -1.1807    -1.1086    -1.5915	H	1	noname	0.1370
19	H6     4.3494     1.8494    -1.9515	H	1	noname	0.0568
20	H7     4.8006     1.0690    -0.4091	H	1	noname	0.0568
21	H8     6.5816     2.5678    -1.2072	H	1	noname	0.0254
22	H9     5.4520     3.9424    -1.2066	H	1	noname	0.0254
23	H10     5.9046     3.1613     0.3274	H	1	noname	0.0254
24	H11    -0.8056    -0.1266     1.9688	H	1	noname	0.0324
25	H12    -2.3482    -0.9594     2.2817	H	1	noname	0.0324
26	H13    -0.8955    -1.8939     2.3312	H	1	noname	0.0324
@<TRIPOS>BOND
1	1	5	1
2	1	10	1
3	2	12	2
4	3	4	1
5	3	12	1
6	3	18	1
7	4	6	2
8	4	7	1
9	5	8	2
10	5	9	1
11	6	8	1
12	6	14	1
13	7	9	2
14	7	15	1
15	8	16	1
16	9	17	1
17	10	11	1
18	10	19	1
19	10	20	1
20	11	21	1
21	11	22	1
22	11	23	1
23	12	13	1
24	13	24	1
25	13	25	1
26	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1