@<TRIPOS>MOLECULE
76960529
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.1706    -1.4735     0.0416	S	1	noname	-0.1186
2	O1    -3.1881     1.9270     2.5438	O.3	1	noname	-0.3954
3	O2    -0.0288    -1.0971     4.5638	O.3	1	noname	-0.3954
4	O3    -2.4432     1.0026     5.7391	O.3	1	noname	-0.3954
5	O4    -1.5035    -2.9074     0.6427	O.2	1	noname	-0.1986
6	O5    -2.3840    -0.9825    -0.8610	O.2	1	noname	-0.1986
7	N1    -0.9212    -0.3490     1.3351	N.3	1	noname	-0.0008
8	C1    -1.6521     0.3689     3.5532	C.3	1	noname	0.0534
9	C2    -1.8725    -0.6245     2.4106	C.3	1	noname	0.0257
10	C3    -2.6477     0.0806     4.6787	C.3	1	noname	0.0545
11	C4    -0.2249     0.2255     4.0856	C.3	1	noname	0.0545
12	C5    -1.8635     1.7939     3.0379	C.3	1	noname	0.0545
13	C6     0.2627    -1.5709    -0.9223	C.2	1	noname	0.0191
14	C7     1.5072    -1.3590    -0.3405	C.2	1	noname	0.0117
15	C8     0.1698    -1.8610    -2.2785	C.2	1	noname	0.0117
16	C9     2.6588    -1.4373    -1.1150	C.2	1	noname	-0.0364
17	C10     1.3214    -1.9392    -3.0530	C.2	1	noname	-0.0364
18	C11     2.5659    -1.7273    -2.4712	C.2	1	noname	-0.0309
19	H1    -2.8892    -0.5223     2.0313	H	1	noname	0.0450
20	H2    -1.7219    -1.6397     2.7776	H	1	noname	0.0450
21	H3    -3.6644     0.1828     4.2994	H	1	noname	0.0571
22	H4    -2.4971    -0.9346     5.0457	H	1	noname	0.0571
23	H5    -0.0680     0.9332     4.8996	H	1	noname	0.0571
24	H6     0.4843     0.4309     3.2837	H	1	noname	0.0571
25	H7    -1.7065     2.5016     3.8519	H	1	noname	0.0571
26	H8    -1.1543     1.9993     2.2361	H	1	noname	0.0571
27	H9    -1.0624     0.6029     0.9909	H	1	noname	0.1442
28	H10    -3.3235     2.8398     2.2138	H	1	noname	0.2100
29	H11     0.8854    -1.1889     4.9048	H	1	noname	0.2100
30	H12    -3.0808     0.8179     6.4600	H	1	noname	0.2100
31	H13     1.5754    -1.1462     0.6547	H	1	noname	0.0639
32	H14    -0.7435    -2.0164    -2.7054	H	1	noname	0.0639
33	H15     3.5720    -1.2818    -0.6881	H	1	noname	0.0623
34	H16     1.2532    -2.1520    -4.0482	H	1	noname	0.0623
35	H17     3.4109    -1.7847    -3.0395	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	5	2
2	1	6	2
3	1	7	1
4	1	13	1
5	2	12	1
6	2	28	1
7	3	11	1
8	3	29	1
9	4	10	1
10	4	30	1
11	7	9	1
12	7	27	1
13	8	9	1
14	8	10	1
15	8	11	1
16	8	12	1
17	9	19	1
18	9	20	1
19	10	21	1
20	10	22	1
21	11	23	1
22	11	24	1
23	12	25	1
24	12	26	1
25	13	14	2
26	13	15	1
27	14	16	1
28	14	31	1
29	15	17	2
30	15	32	1
31	16	18	2
32	16	33	1
33	17	18	1
34	17	34	1
35	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1