@<TRIPOS>MOLECULE
DB00806
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3836    -3.5173     0.1018	O.2	1	noname	-0.2629
2	C1     0.1457    -2.3850     0.1131	C.2	1	noname	0.0941
3	N1     1.5012    -2.2408     0.3546	N.3	1	noname	0.1034
4	N2    -0.6046    -1.2583    -0.1137	N.3	1	noname	-0.0874
5	C2     2.1538    -1.0348     0.3870	C.2	1	noname	0.0750
6	C3     2.2591    -3.4079     0.5817	C.3	1	noname	0.0153
7	C4     0.0116    -0.0382    -0.1273	C.2	1	noname	0.0876
8	C5    -1.9943    -1.3582    -0.3299	C.3	1	noname	0.0022
9	O2     3.3748    -0.9585     0.6435	O.2	1	noname	-0.2771
10	C6     1.3805     0.1189     0.1165	C.2	1	noname	-0.0039
11	C7     2.7963    -3.9344    -0.7506	C.3	1	noname	-0.0389
12	N3    -0.4811     1.1816    -0.4312	N.2	1	noname	-0.1983
13	N4     1.7073     1.4055    -0.0423	N.3	1	noname	0.0025
14	C8     3.6188    -5.2008    -0.5042	C.3	1	noname	-0.0451
15	C9     0.5621     2.0344    -0.3931	C.2	1	noname	-0.0167
16	C10     2.9815     1.9865     0.1217	C.3	1	noname	-0.0508
17	C11     4.1560    -5.7273    -1.8365	C.3	1	noname	0.0058
18	C12     4.9408    -6.9357    -1.6014	C.2	1	noname	0.1305
19	O3     5.4742    -7.5314    -2.5622	O.2	1	noname	-0.3008
20	C13     5.1026    -7.4485    -0.2440	C.3	1	noname	-0.0057
21	H1     3.1070    -3.0879     1.1873	H	1	noname	0.0441
22	H2     1.5527    -4.1385     0.9757	H	1	noname	0.0441
23	H3    -2.5096    -1.3952     0.6299	H	1	noname	0.0404
24	H4    -2.3376    -0.4905    -0.8934	H	1	noname	0.0404
25	H5    -2.2100    -2.2659    -0.8934	H	1	noname	0.0404
26	H6     1.9312    -4.2314    -1.3435	H	1	noname	0.0280
27	H7     3.4855    -3.1808    -1.1319	H	1	noname	0.0280
28	H8     4.4839    -4.9038     0.0886	H	1	noname	0.0271
29	H9     2.9296    -5.9543    -0.1230	H	1	noname	0.0271
30	H10     0.4889     3.0985    -0.6176	H	1	noname	0.1016
31	H11     3.2011     2.0866     1.1847	H	1	noname	0.0436
32	H12     3.7335     1.3513    -0.3464	H	1	noname	0.0436
33	H13     2.9950     2.9708    -0.3464	H	1	noname	0.0436
34	H14     3.3008    -6.0374    -2.4369	H	1	noname	0.0346
35	H15     4.8551    -4.9868    -2.2253	H	1	noname	0.0346
36	H16     5.1001    -8.5383    -0.2646	H	1	noname	0.0310
37	H17     6.0479    -7.0950     0.1677	H	1	noname	0.0310
38	H18     4.2805    -7.0950     0.3783	H	1	noname	0.0310
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	7	12	1
12	7	10	2
13	10	13	1
14	11	14	1
15	12	15	2
16	13	16	1
17	13	15	1
18	14	17	1
19	17	18	1
20	18	19	2
21	18	20	1
22	6	21	1
23	6	22	1
24	8	23	1
25	8	24	1
26	8	25	1
27	11	26	1
28	11	27	1
29	14	28	1
30	14	29	1
31	15	30	1
32	16	31	1
33	16	32	1
34	16	33	1
35	17	34	1
36	17	35	1
37	20	36	1
38	20	37	1
39	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1