@<TRIPOS>MOLECULE
DB06737
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5597    -1.5425     1.2533	S.3	1	noname	-0.0920
2	C1     1.3693    -0.3071     0.8577	C.2	1	noname	0.0134
3	C2     3.8767    -1.5102     0.0957	C.2	1	noname	-0.0179
4	C3     0.8189    -0.0989    -0.4599	C.2	1	noname	0.0042
5	C4     0.9073     0.4659     1.9645	C.2	1	noname	-0.0247
6	C5     3.7411    -1.2797    -1.3237	C.2	1	noname	-0.0225
7	C6     5.1522    -1.8043     0.6577	C.2	1	noname	-0.0307
8	C7     1.1346    -1.0004    -1.5884	C.2	1	noname	0.1028
9	C8    -0.1622     0.9191    -0.6852	C.2	1	noname	-0.0130
10	C9    -0.0896     1.4580     1.7346	C.2	1	noname	-0.0352
11	C10     4.8976    -1.2909    -2.1607	C.2	1	noname	-0.0383
12	C11     2.5651    -1.0198    -2.1512	C.3	1	noname	0.0371
13	C12     6.2875    -1.8556    -0.2181	C.2	1	noname	-0.0447
14	O1     0.2509    -1.7365    -2.0780	O.2	1	noname	-0.2947
15	C13    -0.6101     1.6885     0.4283	C.2	1	noname	-0.0468
16	C14     6.1777    -1.5856    -1.6175	C.2	1	noname	-0.0427
17	C15     7.3598    -1.6120    -2.4739	C.3	1	noname	0.0671
18	C16     7.5483    -2.9601    -3.0018	C.2	1	noname	0.1386
19	C17     8.5894    -1.2069    -1.6586	C.3	1	noname	-0.0490
20	O2     7.5370    -3.1551    -4.2364	O.2	1	noname	-0.2533
21	O3     7.7349    -3.9960    -2.1564	O.3	1	noname	-0.2168
22	H1     1.3077     0.3019     2.9650	H	1	noname	0.0634
23	H2     5.2565    -1.9851     1.7275	H	1	noname	0.0634
24	H3    -0.5597     1.1043    -1.6831	H	1	noname	0.0630
25	H4    -0.4601     2.0502     2.5714	H	1	noname	0.0623
26	H5     4.8024    -1.0724    -3.2243	H	1	noname	0.0629
27	H6     2.7431    -0.0042    -2.5048	H	1	noname	0.0400
28	H7     2.5806    -1.8523    -2.8545	H	1	noname	0.0400
29	H8     7.2650    -2.1079     0.1930	H	1	noname	0.0626
30	H9    -1.3612     2.4641     0.2788	H	1	noname	0.0622
31	H10     7.1864    -0.9390    -3.3137	H	1	noname	0.0456
32	H11     8.3613    -1.2820    -0.5954	H	1	noname	0.0242
33	H12     9.4200    -1.8703    -1.8998	H	1	noname	0.0242
34	H13     8.8631    -0.1797    -1.8998	H	1	noname	0.0242
35	H14     7.6786    -3.6838    -1.2504	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	6	11	1
11	6	12	1
12	7	13	2
13	8	14	2
14	8	12	1
15	9	15	2
16	10	15	1
17	11	16	2
18	13	16	1
19	16	17	1
20	17	18	1
21	17	19	1
22	18	20	2
23	18	21	1
24	5	22	1
25	7	23	1
26	9	24	1
27	10	25	1
28	11	26	1
29	12	27	1
30	12	28	1
31	13	29	1
32	15	30	1
33	17	31	1
34	19	32	1
35	19	33	1
36	19	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1