@<TRIPOS>MOLECULE
DB06862
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.9027    -1.1120    -0.6513	S	1	noname	-0.1196
2	O1    -0.7090    -2.1139    -0.9667	O.2	1	noname	-0.1987
3	O2    -3.2771    -1.7620    -1.1167	O.2	1	noname	-0.1987
4	N1    -1.9593    -0.7992     1.0513	N.3	1	noname	-0.0008
5	C1    -1.6495     0.3727    -1.5023	C.2	1	noname	0.0230
6	C2    -1.7033    -2.0386     1.7833	C.3	1	noname	0.0223
7	C3    -2.1610     0.5347    -2.7846	C.2	1	noname	0.0727
8	C4    -0.9347     1.4037    -0.9038	C.2	1	noname	0.0448
9	C5    -1.7533    -1.7622     3.2873	C.3	1	noname	0.0042
10	C6    -1.9576     1.7277    -3.4684	C.2	1	noname	0.0458
11	C7    -0.7313     2.5967    -1.5876	C.2	1	noname	0.0097
12	S2    -1.4382    -3.2882     4.1885	S.3	1	noname	-0.1779
13	C8    -1.2427     2.7587    -2.8699	C.2	1	noname	0.0749
14	C9    -2.4690     1.8897    -4.7507	C.2	1	noname	0.0967
15	O3    -1.0452     3.9173    -3.5340	O.3	1	noname	-0.2726
16	O4    -3.5155     1.2940    -5.0860	O.2	1	noname	-0.2568
17	O5    -1.8355     2.6903    -5.6339	O.3	1	noname	-0.2171
18	H1    -2.1292     0.0450     1.5791	H	1	noname	0.1442
19	H2    -2.5318    -2.7052     1.5438	H	1	noname	0.0450
20	H3    -0.6820    -2.3279     1.5359	H	1	noname	0.0450
21	H4    -2.7215    -0.2737    -3.2540	H	1	noname	0.0648
22	H5    -0.5336     1.2767     0.1017	H	1	noname	0.0640
23	H6    -0.9312    -1.0660     3.4531	H	1	noname	0.0391
24	H7    -2.7810    -1.4433     3.4610	H	1	noname	0.0391
25	H8    -0.1707     3.4051    -1.1183	H	1	noname	0.0650
26	H9    -1.4872    -3.0510     5.4861	H	1	noname	0.1022
27	H10    -0.9235     4.6308    -2.9034	H	1	noname	0.2182
28	H11    -1.3178     3.3445    -5.1588	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	2
11	9	12	1
12	10	13	2
13	10	14	1
14	11	13	1
15	13	15	1
16	14	16	2
17	14	17	1
18	4	18	1
19	6	19	1
20	6	20	1
21	7	21	1
22	8	22	1
23	9	23	1
24	9	24	1
25	11	25	1
26	12	26	1
27	15	27	1
28	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1