@<TRIPOS>MOLECULE
DB01644
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2592    -4.1187    -1.4118	O.2	1	noname	-0.2559
2	C1     0.1807    -3.5881    -0.3689	C.2	1	noname	0.1348
3	O2     0.4680    -4.3510     0.7072	O.3	1	noname	-0.2189
4	C2     0.3839    -2.1433    -0.3147	C.3	1	noname	0.0344
5	C3     0.9251    -1.7558     1.0629	C.3	1	noname	-0.0327
6	C4     1.1380    -0.2417     1.1197	C.3	1	noname	0.0147
7	C5     2.1093     0.1594     0.0773	C.2	1	noname	-0.0267
8	C6    -0.1669     0.4403     1.0612	C.2	1	noname	-0.0267
9	C7     1.7055     1.0613    -0.9788	C.2	1	noname	0.0190
10	C8     3.4529    -0.3118     0.1676	C.2	1	noname	-0.0346
11	C9    -0.4407     1.3712    -0.0023	C.2	1	noname	0.0190
12	C10    -1.1428     0.1520     2.0579	C.2	1	noname	-0.0346
13	O3     0.4528     1.6471    -1.0142	O.3	1	noname	-0.1988
14	C11     2.6383     1.4551    -1.9857	C.2	1	noname	0.0055
15	C12     4.3835     0.1229    -0.8234	C.2	1	noname	-0.0369
16	C13    -1.7049     2.0289    -0.0624	C.2	1	noname	0.0055
17	C14    -2.4092     0.8127     1.9825	C.2	1	noname	-0.0369
18	C15     3.9819     0.9852    -1.8857	C.2	1	noname	0.0095
19	C16    -2.6872     1.7437     0.9350	C.2	1	noname	0.0095
20	O4     4.8879     1.3632    -2.8123	O.3	1	noname	-0.2843
21	O5    -3.8880     2.3589     0.8873	O.3	1	noname	-0.2843
22	H1     0.4041    -5.2786     0.4681	H	1	noname	0.2213
23	H2     1.1599    -1.9220    -1.0475	H	1	noname	0.0372
24	H3    -0.6055    -1.6975    -0.4171	H	1	noname	0.0372
25	H4     0.1437    -1.9910     1.7855	H	1	noname	0.0281
26	H5     1.9091    -2.2156     1.1551	H	1	noname	0.0281
27	H6     1.5790     0.1060     2.0540	H	1	noname	0.0404
28	H7     3.7593    -0.9836     0.9694	H	1	noname	0.0627
29	H8    -0.9260    -0.5560     2.8578	H	1	noname	0.0627
30	H9     2.3323     2.0988    -2.8104	H	1	noname	0.0677
31	H10     5.4200    -0.2098    -0.7679	H	1	noname	0.0650
32	H11    -1.9175     2.7404    -0.8603	H	1	noname	0.0677
33	H12    -3.1720     0.6042     2.7326	H	1	noname	0.0650
34	H13     5.6761     1.6920    -2.3737	H	1	noname	0.2181
35	H14    -4.2011     2.5193     1.7805	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	13	1
13	9	14	1
14	10	15	2
15	11	16	1
16	11	13	1
17	12	17	2
18	14	18	2
19	15	18	1
20	16	19	2
21	17	19	1
22	18	20	1
23	19	21	1
24	3	22	1
25	4	23	1
26	4	24	1
27	5	25	1
28	5	26	1
29	6	27	1
30	10	28	1
31	12	29	1
32	14	30	1
33	15	31	1
34	16	32	1
35	17	33	1
36	20	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1