@<TRIPOS>MOLECULE
DB02862
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3254    -2.2279    -0.6679	O.3	1	noname	-0.3824
2	C1     0.4054    -1.4868     0.1199	C.3	1	noname	0.1382
3	C2     0.1560    -0.1598    -0.5215	C.2	1	noname	-0.0208
4	C3    -0.9478    -2.2574     0.2015	C.3	1	noname	0.1148
5	N1     0.6478     1.0430    -0.1750	N.2	1	noname	-0.2129
6	N2    -0.7438    -0.0118    -1.5178	N.3	1	noname	-0.0378
7	O2    -1.6652    -1.8338     1.3514	O.3	1	noname	-0.3870
8	C4    -1.8751    -2.1599    -1.0579	C.3	1	noname	0.1040
9	C5     0.0203     1.9499    -0.9473	C.2	1	noname	0.0298
10	C6    -0.8674     1.2970    -1.7945	C.2	1	noname	-0.0720
11	C7    -1.5192    -1.0565    -2.1137	C.3	1	noname	-0.0154
12	O3    -1.9377    -3.4255    -1.6987	O.3	1	noname	-0.3881
13	C8     0.2278     3.3236    -0.9043	C.2	1	noname	-0.0288
14	C9    -2.8082    -0.4689    -2.6915	C.3	1	noname	0.0648
15	C10     0.6038     3.9328     0.2872	C.2	1	noname	-0.0320
16	C11     0.0593     4.0883    -2.0528	C.2	1	noname	-0.0320
17	O4    -3.5776    -1.5056    -3.2828	O.3	1	noname	-0.3942
18	C12     0.8112     5.3065     0.3302	C.2	1	noname	-0.0526
19	C13     0.2668     5.4620    -2.0098	C.2	1	noname	-0.0526
20	C14     0.6427     6.0712    -0.8183	C.2	1	noname	-0.0500
21	H1     1.9238    -2.7100    -0.0924	H	1	noname	0.2111
22	H2     0.8942    -1.3545     1.0851	H	1	noname	0.0711
23	H3    -0.7104    -3.3098     0.3570	H	1	noname	0.0660
24	H4    -1.9698    -2.6023     1.8396	H	1	noname	0.2107
25	H5    -2.8812    -1.9457    -0.6974	H	1	noname	0.0649
26	H6    -1.5364     1.7309    -2.5377	H	1	noname	0.0815
27	H7    -0.8786    -1.4463    -2.9048	H	1	noname	0.0561
28	H8    -1.9720    -4.1187    -1.0354	H	1	noname	0.2106
29	H9    -3.4105    -0.0962    -1.8629	H	1	noname	0.0584
30	H10    -2.5381     0.1966    -3.5114	H	1	noname	0.0584
31	H11     0.7359     3.3332     1.1878	H	1	noname	0.0629
32	H12    -0.2355     3.6106    -2.9872	H	1	noname	0.0629
33	H13    -3.9756    -2.0419    -2.5932	H	1	noname	0.2101
34	H14     1.1060     5.7842     1.2645	H	1	noname	0.0622
35	H15     0.1346     6.0616    -2.9105	H	1	noname	0.0622
36	H16     0.8054     7.1484    -0.7846	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	6	10	1
10	6	11	1
11	8	12	1
12	8	11	1
13	9	13	1
14	9	10	2
15	11	14	1
16	13	15	2
17	13	16	1
18	14	17	1
19	15	18	1
20	16	19	2
21	18	20	2
22	19	20	1
23	1	21	1
24	2	22	1
25	4	23	1
26	7	24	1
27	8	25	1
28	10	26	1
29	11	27	1
30	12	28	1
31	14	29	1
32	14	30	1
33	15	31	1
34	16	32	1
35	17	33	1
36	18	34	1
37	19	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1