@<TRIPOS>MOLECULE
DB03986
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4100     1.1955    -0.0988	O.3	1	noname	-0.3604
2	C1    -1.5029     2.2250    -0.4521	C.3	1	noname	0.1324
3	C2    -3.6582     1.8851    -0.1948	C.3	1	noname	0.1101
4	C3    -0.1431     1.6797    -0.5732	C.2	1	noname	0.1010
5	C4    -2.1179     2.8411    -1.7204	C.3	1	noname	0.1146
6	C5    -3.6054     2.7989    -1.4253	C.3	1	noname	0.1113
7	C6    -4.7904     0.8696    -0.3619	C.3	1	noname	0.0721
8	N1     0.5249     1.0888     0.4423	N.2	1	noname	-0.1419
9	C7     0.6833     1.6397    -1.6831	C.2	1	noname	0.0756
10	O2    -1.6976     4.1920    -1.8421	O.3	1	noname	-0.3870
11	O3    -4.0544     4.0983    -1.0695	O.3	1	noname	-0.3874
12	O4    -4.8154    -0.0004     0.7601	O.3	1	noname	-0.3934
13	N2     1.6999     0.6844     0.0511	N.2	1	noname	-0.1344
14	N3     0.4974     2.0715    -2.9692	N.3	1	noname	0.0007
15	C8     1.8431     0.9984    -1.2464	C.2	1	noname	0.0800
16	C9     1.4882     1.8754    -3.8831	C.2	1	noname	0.0674
17	C10     2.8663     0.7984    -2.1951	C.2	1	noname	0.1869
18	N4     2.6390     1.2496    -3.4772	N.2	1	noname	-0.0813
19	N5     4.0150     0.1933    -1.8632	N.3	1	noname	-0.0579
20	C11     3.6560     1.0550    -4.4343	C.3	1	noname	0.1723
21	H1    -1.3785     2.9606     0.3426	H	1	noname	0.0701
22	H2    -3.7783     2.4478     0.7309	H	1	noname	0.0656
23	H3    -1.8214     2.3868    -2.6658	H	1	noname	0.0660
24	H4    -4.2451     2.5215    -2.2631	H	1	noname	0.0657
25	H5    -5.7362     1.4104    -0.3317	H	1	noname	0.0591
26	H6    -4.5521     0.2358    -1.2161	H	1	noname	0.0591
27	H7    -1.5798     4.5705    -0.9678	H	1	noname	0.2107
28	H8    -4.0815     4.1767    -0.1131	H	1	noname	0.2106
29	H9    -4.8086    -0.9118     0.4586	H	1	noname	0.2101
30	H10    -0.3610     2.5293    -3.2407	H	1	noname	0.1577
31	H11     1.3633     2.2108    -4.9127	H	1	noname	0.1456
32	H12     4.0402    -0.8086    -1.7381	H	1	noname	0.1297
33	H13     4.8555     0.7392    -1.7381	H	1	noname	0.1297
34	H14     4.6032     0.8738    -3.9262	H	1	noname	0.0879
35	H15     3.4083     0.1963    -5.0582	H	1	noname	0.0879
36	H16     3.7428     1.9445    -5.0582	H	1	noname	0.0879
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	2
9	5	10	1
10	5	6	1
11	6	11	1
12	7	12	1
13	8	13	2
14	9	14	1
15	9	15	1
16	13	15	1
17	14	16	1
18	15	17	2
19	16	18	2
20	17	19	1
21	17	18	1
22	18	20	1
23	2	21	1
24	3	22	1
25	5	23	1
26	6	24	1
27	7	25	1
28	7	26	1
29	10	27	1
30	11	28	1
31	12	29	1
32	14	30	1
33	16	31	1
34	19	32	1
35	19	33	1
36	20	34	1
37	20	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1