@<TRIPOS>MOLECULE
101997321
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3994     1.3108    -1.0193	O.3	1	noname	-0.3855
2	O2    -0.2201     3.3669    -0.0171	O.3	1	noname	-0.3895
3	O3     2.9579     1.0665    -1.7325	O.2	1	noname	-0.2935
4	O4     3.3312    -1.6182    -1.2656	O.3	1	noname	-0.2768
5	O5    -0.7003    -3.9369    -0.0097	O.3	1	noname	-0.2822
6	C1    -0.6650     0.9700     0.1486	C.3	1	noname	0.1063
7	C2     0.2656     2.1553     0.5698	C.3	1	noname	0.0914
8	C3     0.0314    -0.3267    -0.0980	C.2	1	noname	0.0165
9	C4     1.7840     1.9934     0.2406	C.3	1	noname	0.0399
10	C5     1.4037    -0.3512    -0.5587	C.2	1	noname	0.0057
11	C6     2.1417     0.9031    -0.8000	C.2	1	noname	0.1068
12	C7    -0.6865    -1.5417     0.0913	C.2	1	noname	-0.0198
13	C8     2.0526    -1.5904    -0.8332	C.2	1	noname	0.0481
14	C9    -0.0328    -2.7764    -0.1835	C.2	1	noname	0.0275
15	C10     1.3207    -2.8030    -0.6410	C.2	1	noname	0.0072
16	H1    -1.4428     0.8350     0.8977	H	1	noname	0.0679
17	H2     0.1935     2.2910     1.6569	H	1	noname	0.0635
18	H3     2.3381     1.8123     1.1616	H	1	noname	0.0378
19	H4     2.2063     2.9448    -0.0828	H	1	noname	0.0378
20	H5    -1.6526    -1.5278     0.4182	H	1	noname	0.0654
21	H6     1.7701    -3.6984    -0.8327	H	1	noname	0.0677
22	H7    -0.7774     1.5049    -1.7512	H	1	noname	0.2110
23	H8    -1.1329     3.5384     0.2958	H	1	noname	0.2105
24	H9     3.6100    -2.5478    -1.4014	H	1	noname	0.2182
25	H10    -1.6088    -3.7472     0.3050	H	1	noname	0.2181
@<TRIPOS>BOND
1	6	1	1
2	1	22	1
3	7	2	1
4	2	23	1
5	3	11	2
6	4	13	1
7	4	24	1
8	5	14	1
9	5	25	1
10	6	7	1
11	6	8	1
12	6	16	1
13	7	9	1
14	7	17	1
15	8	10	2
16	8	12	1
17	9	11	1
18	9	18	1
19	9	19	1
20	10	11	1
21	10	13	1
22	12	14	2
23	12	20	1
24	13	15	2
25	14	15	1
26	15	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1