@<TRIPOS>MOLECULE
DB03982
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9523    -4.9659     0.3700	O.2	1	noname	-0.2580
2	C1     3.2970    -3.9056     0.1943	C.2	1	noname	0.0918
3	O2     1.9758    -4.1612     0.1597	O.3	1	noname	-0.2179
4	C2     3.9118    -2.6023     0.0405	C.2	1	noname	0.0253
5	C3     3.2530    -1.2788    -0.0309	C.2	1	noname	0.0332
6	C4     5.3508    -2.6928    -0.0340	C.2	1	noname	0.0011
7	N1     1.9041    -0.9108     0.3079	N.3	1	noname	-0.0891
8	C5     4.1093    -0.1612    -0.3752	C.2	1	noname	-0.0129
9	C6     6.1299    -1.5389    -0.2593	C.2	1	noname	-0.0405
10	C7     1.1956     0.2820    -0.0137	C.2	1	noname	-0.0042
11	C8     1.1921    -1.6684     1.2922	C.2	1	noname	0.1974
12	C9     5.5129    -0.2855    -0.4690	C.2	1	noname	-0.0285
13	C10    -0.1013     0.3850    -0.6771	C.2	1	noname	-0.0145
14	C11     1.7402     1.5028     0.5224	C.2	1	noname	-0.0233
15	O3     1.8142    -2.2275     2.2211	O.2	1	noname	-0.2337
16	C12    -0.1911    -1.7822     1.2150	C.2	1	noname	0.1783
17	C13    -0.7882     1.6857    -0.7349	C.2	1	noname	-0.0335
18	C14    -0.7979    -0.7476    -1.2046	C.2	1	noname	-0.0388
19	C15     1.1092     2.7501     0.3682	C.2	1	noname	-0.0471
20	O4    -0.8128    -2.4435     2.0744	O.2	1	noname	-0.2248
21	O5    -0.8631    -1.1783     0.2118	O.3	1	noname	-0.1944
22	C16    -0.1545     2.8423    -0.2564	C.2	1	noname	-0.0422
23	C17    -2.1274     1.8402    -1.1737	C.2	1	noname	-0.0461
24	C18    -2.1428    -0.5993    -1.6438	C.2	1	noname	-0.0553
25	C19    -2.7972     0.6609    -1.5951	C.2	1	noname	-0.0566
26	H1     1.6389    -4.2264     1.0563	H	1	noname	0.2216
27	H2     5.8585    -3.6503     0.0819	H	1	noname	0.0631
28	H3     3.6771     0.8197    -0.5730	H	1	noname	0.0639
29	H4     7.2171    -1.6164    -0.2715	H	1	noname	0.0622
30	H5     6.1214     0.5878    -0.7038	H	1	noname	0.0623
31	H6     2.6800     1.4817     1.0742	H	1	noname	0.0639
32	H7    -0.3066    -1.7183    -1.2716	H	1	noname	0.0629
33	H8     1.6023     3.6503     0.7348	H	1	noname	0.0623
34	H9    -1.2477    -1.8447    -0.3623	H	1	noname	0.2218
35	H10    -0.6427     3.8103    -0.3695	H	1	noname	0.0629
36	H11    -2.6162     2.8144    -1.1865	H	1	noname	0.0629
37	H12    -2.6815    -1.4669    -2.0245	H	1	noname	0.0622
38	H13    -3.8447     0.7248    -1.8897	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	7	10	1
10	7	11	1
11	8	12	2
12	9	12	1
13	10	13	1
14	10	14	2
15	11	15	2
16	11	16	1
17	13	17	1
18	13	18	2
19	14	19	1
20	16	20	2
21	16	21	1
22	17	22	1
23	17	23	2
24	18	24	1
25	19	22	2
26	23	25	1
27	24	25	2
28	3	26	1
29	6	27	1
30	8	28	1
31	9	29	1
32	12	30	1
33	14	31	1
34	18	32	1
35	19	33	1
36	21	34	1
37	22	35	1
38	23	36	1
39	24	37	1
40	25	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1