@<TRIPOS>MOLECULE
71587866
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.6599     2.2723    -0.6573	S.3	1	noname	-0.1027
2	O1     0.9458     0.2236     1.2536	O.3	1	noname	-0.3861
3	O2     5.6003     3.8252    -3.1288	O.2	1	noname	-0.3061
4	C1     3.9536     3.9771    -0.1601	C.3	1	noname	0.0133
5	C2     5.1480     4.5361    -0.9359	C.3	1	noname	0.0150
6	C3     4.2513     4.0268     1.3399	C.3	1	noname	-0.0525
7	C4     2.3094     1.6403     0.2199	C.2	1	noname	0.0185
8	C5     2.1123     0.3175     0.5819	C.2	1	noname	0.0505
9	C6     1.2233     2.3646     0.6910	C.2	1	noname	0.0161
10	C7     4.8640     4.4886    -2.3672	C.2	1	noname	0.1237
11	C8     3.0162    -0.7902     0.2858	C.3	1	noname	0.0489
12	C9     0.3959     1.4526     1.3282	C.2	1	noname	0.0259
13	H1     3.0685     4.5759    -0.3749	H	1	noname	0.0421
14	H2     5.3259     5.5685    -0.6348	H	1	noname	0.0354
15	H3     6.0332     3.9373    -0.7211	H	1	noname	0.0354
16	H4     4.4292     5.0592     1.6410	H	1	noname	0.0242
17	H5     3.4004     3.6286     1.8926	H	1	noname	0.0242
18	H6     5.1365     3.4281     1.5547	H	1	noname	0.0242
19	H7     1.0655     3.3672     0.5888	H	1	noname	0.0656
20	H8     4.0647     4.9969    -2.7456	H	1	noname	0.1041
21	H9     2.4934    -1.5354    -0.3136	H	1	noname	0.0301
22	H10     3.3520    -1.2442     1.2181	H	1	noname	0.0301
23	H11     3.8780    -0.4178    -0.2680	H	1	noname	0.0301
24	H12    -0.4898     1.6761     1.7821	H	1	noname	0.0901
@<TRIPOS>BOND
1	1	4	1
2	1	7	1
3	2	8	1
4	2	12	1
5	3	10	2
6	4	5	1
7	4	6	1
8	4	13	1
9	5	10	1
10	5	14	1
11	5	15	1
12	6	16	1
13	6	17	1
14	6	18	1
15	7	8	2
16	7	9	1
17	8	11	1
18	9	12	2
19	9	19	1
20	10	20	1
21	11	21	1
22	11	22	1
23	11	23	1
24	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1