@<TRIPOS>MOLECULE
62024347
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9511     1.9966     1.4303	O.2	1	noname	-0.2875
2	O2     1.5935    -1.6670    -0.3395	O.2	1	noname	-0.2875
3	O3    -0.8311    -2.8814     1.8313	O.2	1	noname	-0.3004
4	N1     0.2688     0.0341     0.7375	N.3	1	noname	0.0842
5	C1     0.7195     1.5611    -1.7937	C.3	1	noname	-0.0367
6	C2     1.8302     0.6139    -1.2331	C.3	1	noname	0.0223
7	C3    -0.6159     1.7295    -0.9931	C.3	1	noname	0.0223
8	C4     1.2555    -0.4654    -0.2729	C.2	1	noname	0.0858
9	C5    -0.4762     1.3135     0.4974	C.2	1	noname	0.0858
10	C6     0.0396    -0.7012     1.9186	C.3	1	noname	0.0693
11	C7    -1.0413    -1.6568     1.6949	C.2	1	noname	0.1333
12	H1     0.4933     1.2860    -2.8238	H	1	noname	0.0276
13	H2     1.1962     2.5404    -1.8371	H	1	noname	0.0276
14	H3    -1.3993     1.1358    -1.4642	H	1	noname	0.0361
15	H4    -1.0067     2.7443    -1.0672	H	1	noname	0.0361
16	H5     2.3443     0.1265    -2.0615	H	1	noname	0.0361
17	H6     2.4759     1.2573    -0.6355	H	1	noname	0.0361
18	H7    -0.2385    -0.0198     2.7226	H	1	noname	0.0519
19	H8     0.9474    -1.2376     2.1946	H	1	noname	0.0519
20	H9    -1.9680    -1.3251     1.4274	H	1	noname	0.1055
@<TRIPOS>BOND
1	1	9	2
2	2	8	2
3	3	11	2
4	4	8	1
5	4	9	1
6	4	10	1
7	5	6	1
8	5	7	1
9	5	12	1
10	5	13	1
11	6	8	1
12	6	16	1
13	6	17	1
14	7	9	1
15	7	14	1
16	7	15	1
17	10	11	1
18	10	18	1
19	10	19	1
20	11	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1