@<TRIPOS>MOLECULE
DB00869
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.3799     0.0262    -0.2145	S	1	noname	0.0030
2	O1    -2.4324    -0.9237    -0.9779	O.2	1	noname	-0.1883
3	O2    -1.8720     0.4209     1.2654	O.2	1	noname	-0.1883
4	C1     0.2457    -0.6705    -0.0227	C.2	1	noname	0.1206
5	C2    -1.0493     1.5888    -1.2024	C.3	1	noname	0.0727
6	S2     0.9479    -2.2571    -0.2793	S.3	1	noname	-0.0794
7	C3     1.3675     0.1721     0.1333	C.2	1	noname	0.0798
8	C4     0.3253     2.2531    -0.8898	C.3	1	noname	-0.0141
9	C5    -2.1720     2.5976    -0.9519	C.3	1	noname	-0.0456
10	C6     2.6561    -1.8141    -0.1765	C.2	1	noname	0.1240
11	C7     2.6420    -0.4346     0.0726	C.2	1	noname	0.0737
12	C8     1.1891     1.6448     0.2510	C.3	1	noname	0.0360
13	S3     4.0328    -2.8481    -0.3450	S	1	noname	-0.0938
14	N1     2.4987     2.2945     0.2701	N.3	1	noname	-0.3100
15	O3     3.6113    -4.3478    -0.0266	O.2	1	noname	-0.1937
16	O4     4.5848    -2.7574    -1.8334	O.2	1	noname	-0.1937
17	N2     5.2688    -2.3486     0.7606	N.3	1	noname	-0.0056
18	C9     2.3233     3.7413     0.3858	C.3	1	noname	-0.0071
19	C10     3.6939     4.4211     0.4057	C.3	1	noname	-0.0527
20	H1    -0.9942     1.5113    -2.2883	H	1	noname	0.0501
21	H2     0.9177     2.1128    -1.7940	H	1	noname	0.0302
22	H3     0.0806     3.2591    -0.5492	H	1	noname	0.0302
23	H4    -2.3134     2.7247     0.1214	H	1	noname	0.0246
24	H5    -1.9063     3.5554    -1.3993	H	1	noname	0.0246
25	H6    -3.0960     2.2314    -1.3993	H	1	noname	0.0246
26	H7     3.5638     0.1305     0.2104	H	1	noname	0.0652
27	H8     0.7045     1.8116     1.2131	H	1	noname	0.0517
28	H9     3.3871     1.8175     0.2122	H	1	noname	0.1228
29	H10     5.9569    -3.0139     1.0830	H	1	noname	0.1404
30	H11     5.3015    -1.3920     1.0830	H	1	noname	0.1404
31	H12     1.8136     4.0557    -0.5250	H	1	noname	0.0425
32	H13     1.8582     3.9106     1.3569	H	1	noname	0.0425
33	H14     4.0074     4.5766     1.4380	H	1	noname	0.0243
34	H15     4.4208     3.7882    -0.1034	H	1	noname	0.0243
35	H16     3.6298     5.3828    -0.1034	H	1	noname	0.0243
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	5	9	1
9	6	10	1
10	7	11	1
11	7	12	1
12	8	12	1
13	10	13	1
14	10	11	2
15	12	14	1
16	13	15	2
17	13	16	2
18	13	17	1
19	14	18	1
20	18	19	1
21	5	20	1
22	8	21	1
23	8	22	1
24	9	23	1
25	9	24	1
26	9	25	1
27	11	26	1
28	12	27	1
29	14	28	1
30	17	29	1
31	17	30	1
32	18	31	1
33	18	32	1
34	19	33	1
35	19	34	1
36	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1