@<TRIPOS>MOLECULE
59129657
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.3642    -3.9494    -0.2674	S	1	noname	-0.0457
2	O1    -1.3506    -4.3513    -1.5794	O.3	1	noname	-0.1486
3	O2     1.1534    -3.9040    -0.7396	O.2	1	noname	-0.1687
4	O3    -0.5311    -5.0421     0.8755	O.2	1	noname	-0.1687
5	C1    -0.5971    -0.0017     0.3363	C.2	1	noname	-0.0249
6	C2    -1.5627     0.0937     1.3315	C.2	1	noname	-0.0187
7	C3    -0.3702     2.3952     0.3266	C.2	1	noname	-0.0590
8	C4    -1.3359     2.4906     1.3219	C.2	1	noname	-0.0587
9	C5    -0.0008     1.1491    -0.1662	C.2	1	noname	-0.0511
10	C6    -1.9322     1.3399     1.8243	C.2	1	noname	-0.0481
11	C7    -0.2277    -1.2478    -0.1565	C.2	1	noname	0.0341
12	C8    -0.8239    -2.3985     0.3459	C.2	1	noname	0.0313
13	C9    -2.1590    -1.0570     1.8339	C.2	1	noname	-0.0210
14	C10    -1.7896    -2.3031     1.3411	C.2	1	noname	0.0272
15	C11     0.2561     3.6038    -0.2011	C.3	1	noname	-0.0018
16	C12    -1.7239     3.7994     1.8395	C.3	1	noname	-0.0018
17	H1     0.7078     1.0790    -0.8965	H	1	noname	0.0632
18	H2    -2.6408     1.4099     2.5546	H	1	noname	0.0632
19	H3     0.4810    -1.3178    -0.8868	H	1	noname	0.0646
20	H4    -2.8676    -0.9870     2.5642	H	1	noname	0.0629
21	H5    -2.2271    -3.1475     1.7098	H	1	noname	0.0639
22	H6     0.0622     3.6759    -1.2713	H	1	noname	0.0280
23	H7    -0.1579     4.4772     0.3027	H	1	noname	0.0280
24	H8     1.3315     3.5607    -0.0287	H	1	noname	0.0280
25	H9    -2.7884     3.9575     1.6666	H	1	noname	0.0280
26	H10    -1.5192     3.8424     2.9092	H	1	noname	0.0280
27	H11    -1.1538     4.5756     1.3290	H	1	noname	0.0280
28	H12    -2.2056    -4.6997    -1.2507	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	12	1
5	2	28	1
6	5	6	2
7	5	9	1
8	5	11	1
9	6	10	1
10	6	13	1
11	7	8	1
12	7	9	2
13	7	15	1
14	8	10	2
15	8	16	1
16	9	17	1
17	10	18	1
18	11	12	2
19	11	19	1
20	12	14	1
21	13	14	2
22	13	20	1
23	14	21	1
24	15	22	1
25	15	23	1
26	15	24	1
27	16	25	1
28	16	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1