@<TRIPOS>MOLECULE
71444754
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2113     0.0611    -0.2764	O.3	1	noname	-0.3516
2	O2     3.1818     1.2842     1.2805	O.3	1	noname	-0.3516
3	O3     2.0037     3.3457    -0.1670	O.2	1	noname	-0.2638
4	O4     1.1984    -0.3456     2.5575	O.2	1	noname	-0.2638
5	O5    -2.0502     0.8374    -0.2546	O.2	1	noname	-0.2790
6	N1    -0.0823     2.2089    -0.5010	N.3	1	noname	0.0977
7	N2    -0.5497     0.9819     1.6192	N.3	1	noname	0.0977
8	C1     1.9097     1.0540     0.6929	C.3	1	noname	0.3166
9	C2     1.3272     2.3059    -0.0132	C.2	1	noname	0.1201
10	C3     0.8640     0.4967     1.6966	C.2	1	noname	0.1201
11	C4    -0.9983     1.2964     0.2407	C.2	1	noname	0.0451
12	H1    -0.3880     2.7183    -1.2678	H	1	noname	0.1416
13	H2    -1.1196     1.0814     2.3978	H	1	noname	0.1416
14	H3     3.1001     1.9658     1.9799	H	1	noname	0.2146
15	H4     1.3937    -0.1846    -0.7576	H	1	noname	0.2146
@<TRIPOS>BOND
1	1	8	1
2	1	15	1
3	2	8	1
4	2	14	1
5	3	9	2
6	4	10	2
7	5	11	2
8	6	9	1
9	6	11	1
10	6	12	1
11	7	10	1
12	7	11	1
13	7	13	1
14	8	9	1
15	8	10	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1