@<TRIPOS>MOLECULE
90479133
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2628    -2.1267     0.9409	O.3	1	noname	-0.2058
2	O2    -2.2167    -0.8005     0.3696	O.2	1	noname	-0.2560
3	N1     0.7201     0.8471    -2.4105	N.2	1	noname	-0.2350
4	C1     1.6708    -0.5169     1.4826	C.3	1	noname	-0.0021
5	C2     1.3008     0.0423     0.1421	C.2	1	noname	0.0254
6	C3     0.8063    -1.7664     1.8833	C.3	1	noname	0.0608
7	C4     0.0130    -0.2492    -0.4340	C.2	1	noname	0.0379
8	C5     2.2878     0.8055    -0.5679	C.2	1	noname	0.0127
9	C6    -0.9895    -1.0286     0.3020	C.2	1	noname	0.0987
10	C7    -0.2617     0.1471    -1.7582	C.2	1	noname	0.0452
11	C8     1.9374     1.2024    -1.8821	C.2	1	noname	0.0257
12	C9     3.4867     1.1280    -0.0127	C.2	1	noname	-0.0487
13	C10     4.3720     1.8371    -0.7072	C.2	1	noname	-0.0811
14	H1     1.5633     0.2579     2.2417	H	1	noname	0.0340
15	H2     2.7377    -0.7374     1.5171	H	1	noname	0.0340
16	H3     0.3798    -1.6104     2.8742	H	1	noname	0.0576
17	H4     1.4642    -2.6080     2.0999	H	1	noname	0.0576
18	H5    -1.1486    -0.0762    -2.2098	H	1	noname	0.0847
19	H6     2.5912     1.7538    -2.4378	H	1	noname	0.0845
20	H7     3.7005     0.8350     0.9084	H	1	noname	0.0623
21	H8     5.2447     2.0719    -0.3031	H	1	noname	0.0538
22	H9     4.1582     2.1302    -1.6284	H	1	noname	0.0538
@<TRIPOS>BOND
1	1	6	1
2	1	9	1
3	2	9	2
4	3	10	2
5	3	11	1
6	4	5	1
7	4	6	1
8	4	14	1
9	4	15	1
10	5	7	2
11	5	8	1
12	6	16	1
13	6	17	1
14	7	9	1
15	7	10	1
16	8	11	2
17	8	12	1
18	10	18	1
19	11	19	1
20	12	13	2
21	12	20	1
22	13	21	1
23	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1