@<TRIPOS>MOLECULE
73425502
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.8277     1.3107    -0.3213	S	1	noname	-0.0726
2	O1     3.2108     1.8803    -0.8902	O.2	1	noname	-0.1914
3	O2     1.5605     1.6903     1.2111	O.2	1	noname	-0.1914
4	O3    -0.6113     0.7039    -3.1695	O.2	1	noname	-0.2807
5	N1     0.4672     1.8611    -1.3207	N.3	1	noname	0.1313
6	C1     1.5331    -0.4012    -0.4886	C.2	1	noname	0.0585
7	C2     0.5437    -0.5867    -1.4821	C.2	1	noname	0.0580
8	C3     0.0560     0.6599    -2.1134	C.2	1	noname	0.0857
9	C4     2.0451    -1.4653     0.2993	C.2	1	noname	0.0265
10	C5     0.0255    -1.8880    -1.7500	C.2	1	noname	0.0065
11	C6     1.5389    -2.7720     0.0156	C.2	1	noname	-0.0199
12	C7     0.5431    -2.9810    -0.9882	C.2	1	noname	-0.0159
13	H1     2.7385    -1.3059     1.0303	H	1	noname	0.0639
14	H2    -0.6906    -2.0339    -2.4616	H	1	noname	0.0631
15	H3     1.8955    -3.5709     0.5400	H	1	noname	0.0623
16	H4     0.1967    -3.9242    -1.1635	H	1	noname	0.0622
17	H5     0.0753     2.7480    -1.3471	H	1	noname	0.1539
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	5	1
4	1	6	1
5	4	8	2
6	5	8	1
7	5	17	1
8	6	7	1
9	6	9	2
10	7	8	1
11	7	10	2
12	9	11	1
13	9	13	1
14	10	12	1
15	10	14	1
16	11	12	2
17	11	15	1
18	12	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1