@<TRIPOS>MOLECULE
DB07342
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.9338    -0.8085    -0.1012	O.2	1	noname	-0.2906
2	C1    -1.8192    -0.6269    -0.6370	C.2	1	noname	0.1498
3	C2    -1.0465     0.6523    -0.3520	C.3	1	noname	0.0314
4	C3    -1.2400    -1.7049    -1.5826	C.3	1	noname	0.0763
5	C4    -0.8194     1.5957    -1.6112	C.3	1	noname	-0.0377
6	C5    -2.0239     1.3793     0.6504	C.3	1	noname	-0.0377
7	C6     0.3190     0.3211     0.3778	C.3	1	noname	-0.0377
8	N1    -2.2051    -2.5489    -2.2047	N.3	1	noname	-0.0415
9	C7    -0.1449     2.9371    -1.1415	C.3	1	noname	-0.0399
10	C8    -1.3800     2.7133     1.1645	C.3	1	noname	-0.0399
11	C9     0.9996     1.6479     0.8479	C.3	1	noname	-0.0399
12	C10    -1.8099    -3.5673    -2.9669	C.2	1	noname	-0.0472
13	C11    -3.5526    -2.4979    -2.2390	C.2	1	noname	-0.0698
14	C12    -1.1162     3.6238    -0.0982	C.3	1	noname	-0.0475
15	C13     1.2153     2.5600    -0.4265	C.3	1	noname	-0.0475
16	C14    -0.0031     2.3471     1.8464	C.3	1	noname	-0.0475
17	N2    -2.8993    -4.1856    -3.4654	N.2	1	noname	-0.2419
18	C15    -3.9937    -3.5488    -3.0338	C.2	1	noname	0.0085
19	H1    -0.7727    -1.1821    -2.4171	H	1	noname	0.0554
20	H2    -0.6521    -2.3875    -0.9690	H	1	noname	0.0554
21	H3    -0.1000     1.0948    -2.2589	H	1	noname	0.0279
22	H4    -1.8055     1.8595    -1.9935	H	1	noname	0.0279
23	H5    -2.9070     1.6622     0.0776	H	1	noname	0.0279
24	H6    -2.1232     0.7284     1.5191	H	1	noname	0.0279
25	H7     0.0698    -0.2362     1.2809	H	1	noname	0.0279
26	H8     0.9801    -0.1187    -0.3689	H	1	noname	0.0279
27	H9     0.0409     3.6084    -1.9799	H	1	noname	0.0303
28	H10    -2.0274     3.2264     1.8756	H	1	noname	0.0303
29	H11     1.9571     1.4622     1.3345	H	1	noname	0.0303
30	H12    -0.7726    -3.8468    -3.1511	H	1	noname	0.1015
31	H13    -4.1636    -1.7550    -1.7262	H	1	noname	0.0808
32	H14    -0.5930     4.5067     0.2690	H	1	noname	0.0272
33	H15    -2.0773     3.7298    -0.6013	H	1	noname	0.0272
34	H16     1.7746     1.9550    -1.1401	H	1	noname	0.0272
35	H17     1.6344     3.4971    -0.0601	H	1	noname	0.0272
36	H18     0.4585     3.2945     2.1246	H	1	noname	0.0272
37	H19    -0.2323     1.6067     2.6128	H	1	noname	0.0272
38	H20    -5.0197    -3.8254    -3.2765	H	1	noname	0.0853
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	9	5	1
9	10	6	1
10	11	7	1
11	8	12	1
12	8	13	1
13	9	14	1
14	9	15	1
15	10	16	1
16	10	14	1
17	11	15	1
18	11	16	1
19	12	17	2
20	13	18	2
21	17	18	1
22	4	19	1
23	4	20	1
24	5	21	1
25	5	22	1
26	6	23	1
27	6	24	1
28	7	25	1
29	7	26	1
30	9	27	1
31	10	28	1
32	11	29	1
33	12	30	1
34	13	31	1
35	14	32	1
36	14	33	1
37	15	34	1
38	15	35	1
39	16	36	1
40	16	37	1
41	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1