@<TRIPOS>MOLECULE
DB06893
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     5.7674    -2.7052    -0.0390	S	1	noname	0.0265
2	O1     6.6450    -1.5778     0.6587	O.2	1	noname	-0.1609
3	O2     6.5581    -3.2969    -1.2852	O.2	1	noname	-0.1609
4	O3     5.4551    -3.9424     1.0691	O.3	1	noname	-0.1456
5	C1     4.2114    -1.9939    -0.5985	C.3	1	noname	0.0822
6	C2     3.1681    -2.1104     0.5145	C.3	1	noname	-0.0346
7	C3     1.8455    -1.5058     0.0389	C.3	1	noname	-0.0520
8	C4     0.8021    -1.6222     1.1519	C.3	1	noname	-0.0532
9	C5    -0.5205    -1.0176     0.6764	C.3	1	noname	-0.0533
10	C6    -1.5639    -1.1340     1.7893	C.3	1	noname	-0.0533
11	C7    -2.8865    -0.5294     1.3138	C.3	1	noname	-0.0533
12	C8    -3.9298    -0.6459     2.4268	C.3	1	noname	-0.0535
13	C9    -5.2524    -0.0413     1.9512	C.3	1	noname	-0.0561
14	C10    -6.2958    -0.1577     3.0642	C.3	1	noname	-0.0654
15	H1     5.5412    -3.6013     1.9623	H	1	noname	0.2384
16	H2     4.3312    -0.9190    -0.7339	H	1	noname	0.0487
17	H3     3.8029    -2.6027    -1.4052	H	1	noname	0.0487
18	H4     2.9901    -3.1746     0.6688	H	1	noname	0.0280
19	H5     3.5183    -1.4910     1.3402	H	1	noname	0.0280
20	H6     2.0235    -0.4415    -0.1155	H	1	noname	0.0267
21	H7     1.4952    -2.1252    -0.7868	H	1	noname	0.0267
22	H8     0.6241    -2.6864     1.3063	H	1	noname	0.0266
23	H9     1.1524    -1.0028     1.9776	H	1	noname	0.0266
24	H10    -0.3425     0.0466     0.5220	H	1	noname	0.0266
25	H11    -0.8707    -1.6370    -0.1493	H	1	noname	0.0266
26	H12    -1.7419    -2.1983     1.9437	H	1	noname	0.0266
27	H13    -1.2136    -0.5146     2.6150	H	1	noname	0.0266
28	H14    -2.7085     0.5348     1.1594	H	1	noname	0.0266
29	H15    -3.2367    -1.1488     0.4881	H	1	noname	0.0266
30	H16    -4.1078    -1.7101     2.5812	H	1	noname	0.0266
31	H17    -3.5796    -0.0265     3.2525	H	1	noname	0.0266
32	H18    -5.0744     1.0230     1.7968	H	1	noname	0.0264
33	H19    -5.6027    -0.6607     1.1255	H	1	noname	0.0264
34	H20    -6.4901    -1.2100     3.2715	H	1	noname	0.0230
35	H21    -5.9210     0.3270     3.9657	H	1	noname	0.0230
36	H22    -7.2196     0.3270     2.7483	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	12	13	1
13	13	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	8	23	1
23	9	24	1
24	9	25	1
25	10	26	1
26	10	27	1
27	11	28	1
28	11	29	1
29	12	30	1
30	12	31	1
31	13	32	1
32	13	33	1
33	14	34	1
34	14	35	1
35	14	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1