@<TRIPOS>MOLECULE
DB04811
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5218    -1.1457    -1.2206	O.3	1	noname	-0.8445
2	C1     0.1707     0.0131    -1.2073	C.2	1	noname	-0.0221
3	C2     1.5312     0.0065    -0.9228	C.2	1	noname	-0.0579
4	C3    -0.4768     1.2129    -1.4783	C.2	1	noname	-0.0761
5	C4     2.2442     1.1996    -0.9091	C.2	1	noname	-0.0488
6	C5     2.1648    -1.1673    -0.6577	C.2	1	noname	0.0054
7	C6     0.2362     2.4060    -1.4646	C.2	1	noname	-0.0640
8	C7     1.5967     2.3994    -1.1800	C.2	1	noname	-0.0947
9	N1     3.4128    -1.1734    -0.3966	N.2	1	noname	-0.2298
10	C8     4.0207    -2.2998    -0.1423	C.2	1	noname	0.0336
11	C9     5.3813    -2.3064     0.1423	C.2	1	noname	0.0336
12	C10     3.3077    -3.4929    -0.1560	C.2	1	noname	-0.0115
13	N2     6.0507    -1.1863     0.1551	N.2	1	noname	-0.2298
14	C11     6.0288    -3.5062     0.4132	C.2	1	noname	-0.0115
15	C12     3.9553    -4.6927     0.1150	C.2	1	noname	-0.0496
16	C13     7.2873    -1.1790    -0.1551	C.2	1	noname	0.0054
17	C14     5.3158    -4.6993     0.3995	C.2	1	noname	-0.0496
18	C15     7.9849    -0.0116    -0.1418	C.2	1	noname	-0.0579
19	C16     9.3331    -0.0038    -0.4800	C.2	1	noname	-0.0221
20	C17     7.3497     1.1736     0.2102	C.2	1	noname	-0.0488
21	O2     9.9500    -1.1549    -0.8218	O.3	1	noname	-0.8445
22	C18    10.0461     1.1894    -0.4663	C.2	1	noname	-0.0761
23	C19     8.0627     2.3667     0.2238	C.2	1	noname	-0.0947
24	C20     9.4109     2.3746    -0.1144	C.2	1	noname	-0.0640
25	H1    -1.5437     1.2181    -1.7014	H	1	noname	0.0614
26	H2     3.3111     1.1944    -0.6859	H	1	noname	0.0629
27	H3     1.6573    -2.1320    -0.6544	H	1	noname	0.0845
28	H4    -0.2716     3.3468    -1.6770	H	1	noname	0.0622
29	H5     2.1558     3.3350    -1.1693	H	1	noname	0.0622
30	H6     2.2408    -3.4877    -0.3791	H	1	noname	0.0646
31	H7     7.0957    -3.5114     0.6364	H	1	noname	0.0646
32	H8     3.3962    -5.6283     0.1042	H	1	noname	0.0623
33	H9     7.7326    -2.1373    -0.4225	H	1	noname	0.0845
34	H10     5.8236    -5.6401     0.6120	H	1	noname	0.0623
35	H11     6.2925     1.1674     0.4754	H	1	noname	0.0629
36	H12    11.1033     1.1956    -0.7316	H	1	noname	0.0614
37	H13     7.5646     3.2961     0.4998	H	1	noname	0.0622
38	H14     9.9700     3.3102    -0.1037	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	6	9	2
9	7	8	1
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	11	14	1
15	12	15	2
16	13	16	2
17	14	17	2
18	15	17	1
19	16	18	1
20	18	19	2
21	18	20	1
22	19	21	1
23	19	22	1
24	20	23	2
25	22	24	2
26	23	24	1
27	4	25	1
28	5	26	1
29	6	27	1
30	7	28	1
31	8	29	1
32	12	30	1
33	14	31	1
34	15	32	1
35	16	33	1
36	17	34	1
37	20	35	1
38	22	36	1
39	23	37	1
40	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1