@<TRIPOS>MOLECULE
76966324
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.3825     1.6646     1.0935	S.3	1	noname	-0.1770
2	O1     1.7810    -0.3226    -2.4700	O.3	1	noname	-0.2136
3	O2     1.7815     1.8861    -2.0298	O.2	1	noname	-0.2491
4	O3     0.8918    -2.3849     1.0649	O.2	1	noname	-0.2971
5	N1     0.6873    -0.2948     0.2756	N.3	1	noname	-0.0719
6	C1     0.2267     0.5737    -0.7352	C.3	1	noname	0.1087
7	C2    -0.0984     1.8715    -0.1507	C.3	1	noname	0.0157
8	C3     1.3182     0.7496    -1.7928	C.2	1	noname	0.1444
9	C4     0.4835    -1.6149     0.1688	C.2	1	noname	0.0394
10	C5    -0.2155    -2.1539    -0.9942	C.3	1	noname	0.0095
11	H1    -0.6642     0.1508    -1.1994	H	1	noname	0.0586
12	H2    -0.4544     2.5429    -0.9321	H	1	noname	0.0399
13	H3     0.7926     2.2944     0.3135	H	1	noname	0.0399
14	H4     1.1516     0.0633     1.0483	H	1	noname	0.1318
15	H5    -1.1138    -2.6778    -0.6676	H	1	noname	0.0324
16	H6    -0.4930    -1.3381    -1.6616	H	1	noname	0.0324
17	H7     0.4386    -2.8483    -1.5215	H	1	noname	0.0324
18	H8    -1.6853     2.8735     1.6379	H	1	noname	0.1022
19	H9     2.7062    -0.3365    -2.7927	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	7	1
2	1	18	1
3	2	8	1
4	2	19	1
5	3	8	2
6	4	9	2
7	6	5	1
8	5	9	1
9	5	14	1
10	6	7	1
11	6	8	1
12	6	11	1
13	7	12	1
14	7	13	1
15	9	10	1
16	10	15	1
17	10	16	1
18	10	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1