@<TRIPOS>MOLECULE
56924023
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.0797    -0.5817     0.4780	S	1	noname	0.0141
2	S2     0.2035     0.4484    -0.4372	S.3	1	noname	-0.0352
3	O1     3.6155    -1.6787     1.6467	O.3	1	noname	-0.1364
4	O2     3.5546    -1.0655    -0.9602	O.2	1	noname	-0.1515
5	O3     3.6883     0.8555     0.7815	O.2	1	noname	-0.1515
6	O4    -4.8153     0.1130     0.3180	O.2	1	noname	-0.2751
7	N1    -2.6147     0.3122    -0.0706	N.3	1	noname	-0.0815
8	N2     0.4365    -1.1323     1.2883	N.2	1	noname	-0.0708
9	N3    -0.8628    -0.9166     1.1501	N.2	1	noname	-0.1046
10	C1     1.3522    -0.4962     0.5164	C.2	1	noname	0.1844
11	C2    -1.3598    -0.0483     0.2306	C.2	1	noname	0.1840
12	C3    -3.6446    -0.2232     0.5989	C.2	1	noname	0.1386
13	C4    -3.3993    -1.1993     1.6566	C.3	1	noname	0.0099
14	H1    -2.7777     0.9607    -0.7733	H	1	noname	0.1395
15	H2    -3.8900    -2.1394     1.4044	H	1	noname	0.0324
16	H3    -3.7983    -0.8225     2.5984	H	1	noname	0.0324
17	H4    -2.3266    -1.3647     1.7567	H	1	noname	0.0324
18	H5     4.5951    -1.6730     1.6753	H	1	noname	0.2389
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	10	1
5	2	10	1
6	2	11	1
7	3	18	1
8	6	12	2
9	7	11	1
10	7	12	1
11	7	14	1
12	8	9	1
13	8	10	2
14	9	11	2
15	12	13	1
16	13	15	1
17	13	16	1
18	13	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1