@<TRIPOS>MOLECULE
76970195
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6543    -1.7908     0.8108	S	1	noname	-0.0682
2	O1    -2.8711    -1.2359     1.8440	O.3	1	noname	-0.1425
3	O2    -1.4666    -3.3575     1.0065	O.2	1	noname	-0.1635
4	O3    -2.0609    -1.4899    -0.6966	O.2	1	noname	-0.1635
5	N1    -0.1688    -0.9807     1.1808	N.3	1	noname	0.0331
6	C1    -0.3255     0.4543     0.9493	C.3	1	noname	0.0265
7	C2    -0.6967     0.7038    -0.5536	C.3	1	noname	-0.0363
8	C3     0.9189     1.2164     1.5270	C.3	1	noname	-0.0363
9	C4    -0.1644     2.0432    -1.1455	C.3	1	noname	-0.0518
10	C5     1.9434     1.7007     0.4547	C.3	1	noname	-0.0518
11	C6     1.3247     2.3867    -0.8072	C.3	1	noname	-0.0532
12	H1    -1.1872     0.7749     1.5348	H	1	noname	0.0479
13	H2     0.5814     2.0679     2.1178	H	1	noname	0.0283
14	H3     1.4278     0.5799     2.2509	H	1	noname	0.0283
15	H4    -1.7792     0.6586    -0.6728	H	1	noname	0.0283
16	H5    -0.2042    -0.0882    -1.1178	H	1	noname	0.0283
17	H6    -0.8080     2.8628    -0.8260	H	1	noname	0.0267
18	H7    -0.2879     2.0267    -2.2284	H	1	noname	0.0267
19	H8     2.5672     0.8628     0.1436	H	1	noname	0.0267
20	H9     2.6492     2.3873     0.9222	H	1	noname	0.0267
21	H10     1.4388     3.4677    -0.7258	H	1	noname	0.0266
22	H11     1.9470     2.0638    -1.6418	H	1	noname	0.0266
23	H12     0.5754    -1.3432     0.5814	H	1	noname	0.1465
24	H13    -2.5923    -1.3630     2.7749	H	1	noname	0.2398
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	5	1
5	2	24	1
6	5	6	1
7	5	23	1
8	6	7	1
9	6	8	1
10	6	12	1
11	7	9	1
12	7	15	1
13	7	16	1
14	8	10	1
15	8	13	1
16	8	14	1
17	9	11	1
18	9	17	1
19	9	18	1
20	10	11	1
21	10	19	1
22	10	20	1
23	11	21	1
24	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1