@<TRIPOS>MOLECULE
DB06701
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7134    -3.1586     1.7120	O.2	1	noname	-0.2512
2	C1    -0.2307    -2.4725     0.7853	C.2	1	noname	0.1437
3	O2     1.1014    -2.2625     0.7241	O.3	1	noname	-0.2070
4	C2    -1.1077    -1.8983    -0.2310	C.3	1	noname	0.0854
5	C3     1.8697    -2.2243     1.9176	C.3	1	noname	0.0453
6	C4    -0.7300    -2.4100    -1.5452	C.2	1	noname	-0.0487
7	C5    -0.9729    -0.3743    -0.2190	C.3	1	noname	0.0231
8	C6     0.5911    -2.7574    -1.8023	C.2	1	noname	-0.0532
9	C7    -1.6915    -2.5497    -2.5393	C.2	1	noname	-0.0532
10	N1    -1.8511     0.2006    -1.2367	N.3	1	noname	-0.3128
11	C8     0.4768     0.0118    -0.5192	C.3	1	noname	-0.0366
12	C9     0.9507    -3.2445    -3.0535	C.2	1	noname	-0.0595
13	C10    -1.3318    -3.0368    -3.7905	C.2	1	noname	-0.0595
14	C11    -1.7223     1.6569    -1.2252	C.3	1	noname	-0.0045
15	C12     0.6116     1.5358    -0.5072	C.3	1	noname	-0.0506
16	C13    -0.0107    -3.3842    -4.0476	C.2	1	noname	-0.0614
17	C14    -0.4116     2.2969    -1.1674	C.3	1	noname	-0.0406
18	H1    -2.1278    -2.2200    -0.0211	H	1	noname	0.0475
19	H2     2.0813    -3.2418     2.2463	H	1	noname	0.0536
20	H3     2.8072    -1.7008     1.7297	H	1	noname	0.0536
21	H4     1.3105    -1.7008     2.6931	H	1	noname	0.0536
22	H5    -1.2884     0.0324     0.7418	H	1	noname	0.0476
23	H6     1.3451    -2.6479    -1.0228	H	1	noname	0.0625
24	H7    -2.7274    -2.2773    -2.3377	H	1	noname	0.0625
25	H8    -2.4536    -0.3267    -1.8524	H	1	noname	0.1225
26	H9     1.0801    -0.3640     0.3072	H	1	noname	0.0283
27	H10     0.6848    -0.3145    -1.5382	H	1	noname	0.0283
28	H11     1.9867    -3.5170    -3.2551	H	1	noname	0.0622
29	H12    -2.0858    -3.1464    -4.5700	H	1	noname	0.0622
30	H13    -2.1308     1.9703    -2.1859	H	1	noname	0.0428
31	H14    -2.2102     1.9625    -0.2996	H	1	noname	0.0428
32	H15     0.5295     1.8427     0.5354	H	1	noname	0.0267
33	H16     1.5129     1.7684    -1.0744	H	1	noname	0.0267
34	H17     0.2713    -3.7662    -5.0287	H	1	noname	0.0622
35	H18    -0.0786     2.3878    -2.2013	H	1	noname	0.0279
36	H19    -0.5429     3.1901    -0.5566	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	3	5	1
5	4	6	1
6	4	7	1
7	6	8	2
8	6	9	1
9	7	10	1
10	7	11	1
11	8	12	1
12	9	13	2
13	10	14	1
14	11	15	1
15	12	16	2
16	13	16	1
17	14	17	1
18	15	17	1
19	4	18	1
20	5	19	1
21	5	20	1
22	5	21	1
23	7	22	1
24	8	23	1
25	9	24	1
26	10	25	1
27	11	26	1
28	11	27	1
29	12	28	1
30	13	29	1
31	14	30	1
32	14	31	1
33	15	32	1
34	15	33	1
35	16	34	1
36	17	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1