@<TRIPOS>MOLECULE
71586876
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2649     2.3919    -3.4074	S	1	noname	-0.0523
2	O1     2.0319     3.9933    -2.9200	O.3	1	noname	-0.1489
3	O2     1.6979     2.1984    -4.8802	O.2	1	noname	-0.1692
4	O3     3.8182     2.0529    -3.3886	O.2	1	noname	-0.1692
5	N1    -0.5577    -1.1916     0.2552	N.3	1	noname	-0.0220
6	C1     0.0889    -0.3707    -0.5838	C.2	1	noname	0.0064
7	C2     1.4302     1.3322    -2.3243	C.2	1	noname	-0.0012
8	C3     0.6095     0.8307    -0.1172	C.2	1	noname	-0.0318
9	C4     0.2389    -0.7206    -1.9206	C.2	1	noname	-0.0318
10	C5     1.2802     1.6821    -0.9874	C.2	1	noname	0.0222
11	C6     0.9095     0.1308    -2.7909	C.2	1	noname	0.0222
12	C7    -1.8626    -0.8868     0.2612	C.2	1	noname	-0.0326
13	C8    -2.7409    -1.6076     1.0618	C.2	1	noname	-0.0610
14	C9    -2.3377     0.1502    -0.5331	C.2	1	noname	-0.0610
15	C10    -4.0945    -1.2915     1.0680	C.2	1	noname	-0.0637
16	C11    -3.6913     0.4664    -0.5269	C.2	1	noname	-0.0637
17	C12    -4.5697    -0.2545     0.2737	C.2	1	noname	-0.0855
18	H1     0.4994     1.0874     0.8638	H	1	noname	0.0639
19	H2    -0.1432    -1.6022    -2.2630	H	1	noname	0.0639
20	H3    -0.4413    -2.1093    -0.0367	H	1	noname	0.1342
21	H4     1.6622     2.5637    -0.6450	H	1	noname	0.0640
22	H5     1.0196    -0.1259    -3.7719	H	1	noname	0.0640
23	H6    -2.3922    -2.3686     1.6447	H	1	noname	0.0639
24	H7    -1.6932     0.6792    -1.1206	H	1	noname	0.0639
25	H8    -4.7391    -1.8204     1.6555	H	1	noname	0.0623
26	H9    -4.0400     1.2273    -1.1098	H	1	noname	0.0623
27	H10    -5.5629    -0.0225     0.2783	H	1	noname	0.0622
28	H11     2.4390     4.5969    -3.5759	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	12	1
8	5	20	1
9	6	8	2
10	6	9	1
11	7	10	2
12	7	11	1
13	8	10	1
14	8	18	1
15	9	11	2
16	9	19	1
17	10	21	1
18	11	22	1
19	12	13	2
20	12	14	1
21	13	15	1
22	13	23	1
23	14	16	2
24	14	24	1
25	15	17	2
26	15	25	1
27	16	17	1
28	16	26	1
29	17	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1