@<TRIPOS>MOLECULE
101324157
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6766    -1.5934    -0.7066	S	1	noname	-0.0440
2	O1    -3.3560    -1.5011    -0.8723	O.3	1	noname	-0.1481
3	O2    -1.2480    -3.1090    -0.4889	O.2	1	noname	-0.1680
4	O3    -0.9826    -1.0300    -2.0216	O.2	1	noname	-0.1680
5	C1    -0.8561     0.6903     0.4938	C.2	1	noname	0.0195
6	C2    -0.4564     1.4469     1.5893	C.2	1	noname	-0.0337
7	C3    -1.1791    -0.6518     0.6567	C.2	1	noname	0.0264
8	C4    -1.1022    -1.2374     1.9150	C.2	1	noname	0.0276
9	C5    -0.1334     2.7890     1.4264	C.2	1	noname	-0.0443
10	C6    -0.3795     0.8613     2.8475	C.2	1	noname	-0.0130
11	C7    -0.7024    -0.4808     3.0104	C.2	1	noname	-0.0366
12	C8    -0.9330     1.2759    -0.7644	C.2	1	noname	-0.0375
13	C9    -0.2103     3.3746     0.1681	C.2	1	noname	-0.0622
14	C10    -0.6101     2.6180    -0.9273	C.2	1	noname	-0.0562
15	C11    -1.4414    -2.6471     2.0861	C.3	1	noname	0.0169
16	C12     0.2865     3.5836     2.5770	C.3	1	noname	0.0016
17	H1    -0.0861     1.4164     3.6514	H	1	noname	0.0629
18	H2    -0.6460    -0.9106     3.9338	H	1	noname	0.0626
19	H3    -1.2264     0.7207    -1.5683	H	1	noname	0.0629
20	H4     0.0267     4.3594     0.0486	H	1	noname	0.0625
21	H5    -0.6665     3.0477    -1.8507	H	1	noname	0.0622
22	H6    -2.2716    -2.7386     2.7865	H	1	noname	0.0280
23	H7    -1.7293    -3.0709     1.1240	H	1	noname	0.0280
24	H8    -0.5766    -3.1842     2.4756	H	1	noname	0.0280
25	H9    -0.4040     4.4156     2.7154	H	1	noname	0.0280
26	H10     0.2860     2.9585     3.4699	H	1	noname	0.0280
27	H11     1.2910     3.9700     2.4045	H	1	noname	0.0280
28	H12    -3.6384    -0.5641    -0.8204	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	7	1
5	2	28	1
6	5	6	1
7	5	7	1
8	5	12	2
9	6	9	2
10	6	10	1
11	7	8	2
12	8	11	1
13	8	15	1
14	9	13	1
15	9	16	1
16	10	11	2
17	10	17	1
18	11	18	1
19	12	14	1
20	12	19	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