@<TRIPOS>MOLECULE
DB03760
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.4410    -1.8883    -0.1762	S.3	1	noname	-0.1758
2	C1     1.8063    -1.1630     0.0284	C.3	1	noname	0.0025
3	C2     0.9432    -1.4991    -1.1895	C.3	1	noname	-0.0326
4	C3     1.9350     0.3560     0.1588	C.3	1	noname	-0.0415
5	C4     0.8146    -3.0181    -1.3199	C.3	1	noname	-0.0087
6	C5     0.5455     0.9724     0.3327	C.3	1	noname	-0.0517
7	S2    -0.2008    -3.4134    -2.7526	S.3	1	noname	-0.1792
8	C6     0.6741     2.4914     0.4631	C.3	1	noname	-0.0439
9	C7    -0.7153     3.1078     0.6370	C.3	1	noname	0.0335
10	C8    -0.5926     4.5573     0.7615	C.2	1	noname	0.1348
11	O1    -1.6149     5.2605     0.9126	O.2	1	noname	-0.2559
12	O2     0.6251     5.1382     0.7133	O.3	1	noname	-0.2189
13	H1     3.9699    -2.1229     1.0102	H	1	noname	0.1024
14	H2     1.2079    -1.4673     0.8871	H	1	noname	0.0414
15	H3    -0.0558    -1.1153    -0.9827	H	1	noname	0.0286
16	H4     1.4891    -1.1530    -2.0672	H	1	noname	0.0286
17	H5     2.4819     0.5473     1.0820	H	1	noname	0.0278
18	H6     2.3247     0.7215    -0.7913	H	1	noname	0.0278
19	H7     1.8367    -3.3534    -1.4954	H	1	noname	0.0378
20	H8     0.2918    -3.3156    -0.4109	H	1	noname	0.0378
21	H9    -0.0014     0.7811    -0.5906	H	1	noname	0.0267
22	H10     0.1557     0.6069     1.2827	H	1	noname	0.0267
23	H11    -0.2910    -4.7241    -2.8799	H	1	noname	0.1021
24	H12     1.2211     2.6827     1.3863	H	1	noname	0.0272
25	H13     1.0639     2.8569    -0.4870	H	1	noname	0.0272
26	H14    -1.2711     2.9321    -0.2840	H	1	noname	0.0372
27	H15    -1.1139     2.7579     1.5893	H	1	noname	0.0372
28	H16     0.9429     5.2898     1.6064	H	1	noname	0.2213
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	8	9	1
9	9	10	1
10	10	11	2
11	10	12	1
12	1	13	1
13	2	14	1
14	3	15	1
15	3	16	1
16	4	17	1
17	4	18	1
18	5	19	1
19	5	20	1
20	6	21	1
21	6	22	1
22	7	23	1
23	8	24	1
24	8	25	1
25	9	26	1
26	9	27	1
27	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1