@<TRIPOS>MOLECULE
1948-33-0
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     2.4641     1.3072    -1.0261	C.3	1	noname	-0.0560
2	C2     1.7927     1.1695     0.3769	C.3	1	noname	0.0283
3	C3     2.4716    -0.0344     1.1324	C.3	1	noname	-0.0560
4	C4     2.1690     2.4276     1.2411	C.3	1	noname	-0.0560
5	C5     0.2860     0.9859     0.1658	C.2	1	noname	-0.0171
6	C6    -0.2625    -0.3188    -0.0050	C.2	1	noname	-0.0254
7	C7    -1.6400    -0.5483    -0.1753	C.2	1	noname	-0.0157
8	O1    -2.1169    -1.8093    -0.3044	O.3	1	noname	-0.2881
9	C8    -2.5292     0.5318    -0.2124	C.2	1	noname	-0.0309
10	C9    -2.0331     1.8359    -0.0938	C.2	1	noname	-0.0240
11	C10    -0.6525     2.0643     0.0787	C.2	1	noname	-0.0182
12	O2    -0.3194     3.3745     0.1324	O.3	1	noname	-0.2879
13	H1     2.6595     0.3156    -1.4343	H	1	noname	0.0239
14	H2     1.7980     1.8511    -1.6958	H	1	noname	0.0239
15	H3     3.4036     1.8511    -0.9274	H	1	noname	0.0239
16	H4     2.3861     0.1172     2.2084	H	1	noname	0.0239
17	H5     1.9740    -0.9640     0.8557	H	1	noname	0.0239
18	H6     3.5245    -0.0897     0.8557	H	1	noname	0.0239
19	H7     2.0941     2.1771     2.2993	H	1	noname	0.0239
20	H8     3.1896     2.7339     1.0116	H	1	noname	0.0239
21	H9     1.4843     3.2440     1.0116	H	1	noname	0.0239
22	H10     0.4030    -1.1820    -0.0055	H	1	noname	0.0654
23	H11    -2.2602    -2.1880     0.5660	H	1	noname	0.2181
24	H12    -3.5986     0.3589    -0.3326	H	1	noname	0.0650
25	H13    -2.7248     2.6772    -0.1358	H	1	noname	0.0651
26	H14    -0.2495     3.6495     1.0495	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	2	5	1
5	5	6	ar
6	6	7	ar
7	7	8	1
8	7	9	ar
9	9	10	ar
10	10	11	ar
11	5	11	ar
12	11	12	1
13	1	13	1
14	1	14	1
15	1	15	1
16	3	16	1
17	3	17	1
18	3	18	1
19	4	19	1
20	4	20	1
21	4	21	1
22	6	22	1
23	8	23	1
24	9	24	1
25	10	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1