@<TRIPOS>MOLECULE
119025631
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3536    -0.2342    -1.5762	O.3	1	noname	-0.3504
2	O2    -2.6181     0.6662     0.7931	O.3	1	noname	-0.2134
3	O3    -2.0026     2.4666    -0.4120	O.2	1	noname	-0.2488
4	O4     1.3357    -2.2237    -2.0959	O.3	1	noname	-0.2134
5	O5     2.0758    -2.9598    -0.1002	O.2	1	noname	-0.2488
6	N1     0.0067    -0.2701    -0.2735	N.3	1	noname	-0.1287
7	C1    -0.1966     1.0483     0.3248	C.3	1	noname	0.1186
8	C2     1.4169    -0.6409    -0.1679	C.3	1	noname	0.1186
9	C3     0.6196     2.0333    -0.3790	C.3	1	noname	-0.0376
10	C4     1.8059    -0.6796     1.2388	C.3	1	noname	-0.0376
11	C5    -1.6725     1.4364     0.2143	C.2	1	noname	0.1449
12	C6     1.6297    -2.0206    -0.7941	C.2	1	noname	0.1449
13	H1     0.0938     1.0194     1.3750	H	1	noname	0.0598
14	H2     2.0263     0.0944    -0.6933	H	1	noname	0.0598
15	H3     0.4680     3.0162     0.0671	H	1	noname	0.0253
16	H4     0.3292     2.0621    -1.4292	H	1	noname	0.0253
17	H5     1.6710     1.7568    -0.3002	H	1	noname	0.0253
18	H6     2.8573    -0.9561     1.3175	H	1	noname	0.0253
19	H7     1.1965    -1.4150     1.7641	H	1	noname	0.0253
20	H8     1.6543     0.3033     1.6848	H	1	noname	0.0253
21	H9    -1.2989     0.0144    -1.6469	H	1	noname	0.2377
22	H10    -3.5159     0.6166     0.4032	H	1	noname	0.2213
23	H11     1.0434    -3.1083    -2.4001	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	6	1
2	1	21	1
3	2	11	1
4	2	22	1
5	3	11	2
6	4	12	1
7	4	23	1
8	5	12	2
9	7	6	1
10	8	6	1
11	7	9	1
12	7	11	1
13	7	13	1
14	8	10	1
15	8	12	1
16	8	14	1
17	9	15	1
18	9	16	1
19	9	17	1
20	10	18	1
21	10	19	1
22	10	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1