@<TRIPOS>MOLECULE
DB07479
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0742     1.3689    -1.8195	O.3	1	noname	-0.3855
2	C1     3.3776     1.1180    -0.5941	C.3	1	noname	0.1078
3	C2     2.0331     1.8193    -0.4228	C.2	1	noname	-0.0367
4	C3     4.2883     1.4804     0.6376	C.3	1	noname	0.1103
5	C4     1.4121     1.8661     0.8882	C.2	1	noname	-0.0243
6	C5     1.4057     2.4518    -1.5321	C.2	1	noname	-0.0435
7	O2     5.5092     0.7348     0.5992	O.3	1	noname	-0.3872
8	C6     3.5902     1.3247     2.0353	C.3	1	noname	0.0869
9	C7     0.2355     2.6766     1.1263	C.2	1	noname	-0.0282
10	C8     2.0747     1.0562     1.9511	C.3	1	noname	0.0306
11	C9     0.2417     3.2248    -1.3278	C.2	1	noname	-0.0491
12	O3     4.1182     0.2774     2.8412	O.3	1	noname	-0.3898
13	C10    -0.4615     2.8667     2.3830	C.2	1	noname	-0.0293
14	C11    -0.2989     3.3675    -0.0254	C.2	1	noname	-0.0366
15	C12    -1.5487     3.8403     2.4458	C.2	1	noname	-0.0366
16	C13    -0.1493     2.1630     3.5948	C.2	1	noname	-0.0434
17	C14    -1.3890     4.2624     0.0565	C.2	1	noname	-0.0423
18	C15    -1.9966     4.5186     1.2930	C.2	1	noname	-0.0425
19	C16    -2.2212     4.1568     3.6716	C.2	1	noname	-0.0469
20	C17    -0.8193     2.4627     4.8103	C.2	1	noname	-0.0562
21	C18    -1.8265     3.4681     4.8534	C.2	1	noname	-0.0568
22	H1     4.3083     0.5339    -2.2313	H	1	noname	0.2110
23	H2     3.1657     0.0584    -0.7372	H	1	noname	0.0680
24	H3     4.6068     2.5176     0.5330	H	1	noname	0.0658
25	H4     1.8158     2.3445    -2.5363	H	1	noname	0.0626
26	H5     5.8029     0.5554     1.4954	H	1	noname	0.2107
27	H6     3.8198     2.2454     2.5716	H	1	noname	0.0632
28	H7     1.6423     1.3986     2.8913	H	1	noname	0.0343
29	H8     1.9564     0.0174     1.6431	H	1	noname	0.0343
30	H9    -0.2398     3.7116    -2.1759	H	1	noname	0.0629
31	H10     4.0061     0.4997     3.7684	H	1	noname	0.2105
32	H11     0.6132     1.3841     3.5920	H	1	noname	0.0629
33	H12    -1.7634     4.7580    -0.8392	H	1	noname	0.0629
34	H13    -2.8112     5.2400     1.3576	H	1	noname	0.0629
35	H14    -3.0143     4.9038     3.7044	H	1	noname	0.0629
36	H15    -0.5584     1.9169     5.7171	H	1	noname	0.0622
37	H16    -2.3015     3.7136     5.8032	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	2
11	8	12	1
12	8	10	1
13	9	13	2
14	9	14	1
15	11	14	1
16	13	15	1
17	13	16	1
18	14	17	2
19	15	18	2
20	15	19	1
21	16	20	2
22	17	18	1
23	19	21	2
24	20	21	1
25	1	22	1
26	2	23	1
27	4	24	1
28	6	25	1
29	7	26	1
30	8	27	1
31	10	28	1
32	10	29	1
33	11	30	1
34	12	31	1
35	16	32	1
36	17	33	1
37	18	34	1
38	19	35	1
39	20	36	1
40	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1