@<TRIPOS>MOLECULE
DB07160
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7026    -0.0860    -1.2703	O.2	1	noname	-0.2423
2	C1    -0.6668     0.5515    -0.9819	C.2	1	noname	0.1567
3	O2    -0.0972     1.3637    -1.8975	O.3	1	noname	-0.1981
4	C2    -0.0730     0.4176     0.3452	C.3	1	noname	0.1786
5	C3    -0.2131     1.0656    -3.2810	C.3	1	noname	0.0537
6	O3     1.2518    -0.0789     0.2230	O.3	1	noname	-0.3485
7	C4     1.1582     1.3203     0.4464	C.3	1	noname	0.1675
8	C5     0.5161     2.1355    -4.0961	C.3	1	noname	-0.0409
9	C6     1.4362     1.6086     1.8504	C.2	1	noname	0.0570
10	O4     2.4062     2.3339     2.1593	O.2	1	noname	-0.2849
11	N1     0.6513     1.0958     2.8078	N.3	1	noname	-0.0606
12	C7     0.9197     1.3743     4.1637	C.3	1	noname	0.1025
13	C8     2.3183     0.8674     4.5213	C.2	1	noname	0.1441
14	C9    -0.0698     0.7052     5.0031	C.3	1	noname	-0.0190
15	O5     3.1867     1.6669     4.9325	O.2	1	noname	-0.2493
16	O6     2.6145    -0.4435     4.3928	O.3	1	noname	-0.2138
17	C10    -1.4684     1.2122     4.6455	C.3	1	noname	-0.0515
18	C11     0.2214     1.0074     6.4744	C.3	1	noname	-0.0605
19	C12    -2.5054     0.5109     5.5252	C.3	1	noname	-0.0650
20	H1    -0.9491     0.1765     0.9471	H	1	noname	0.0747
21	H2     0.3110     0.1200    -3.4196	H	1	noname	0.0570
22	H3    -1.2773     1.1368    -3.5056	H	1	noname	0.0570
23	H4     1.5421     2.2194    -0.0356	H	1	noname	0.0735
24	H5     0.9975     2.8420    -3.4200	H	1	noname	0.0254
25	H6     1.2705     1.6622    -4.7245	H	1	noname	0.0254
26	H7    -0.2004     2.6646    -4.7245	H	1	noname	0.0254
27	H8    -0.1216     0.5151     2.5154	H	1	noname	0.1319
28	H9     0.8155     2.4529     4.2815	H	1	noname	0.0581
29	H10     0.0153    -0.3632     4.8049	H	1	noname	0.0321
30	H11     2.7037    -0.8382     5.2633	H	1	noname	0.2213
31	H12    -1.4965     2.2697     4.9081	H	1	noname	0.0267
32	H13    -1.6634     0.9000     3.6195	H	1	noname	0.0267
33	H14     0.3300     0.0717     7.0229	H	1	noname	0.0234
34	H15     1.1439     1.5829     6.5514	H	1	noname	0.0234
35	H16    -0.6022     1.5829     6.8971	H	1	noname	0.0234
36	H17    -2.2622     0.6754     6.5749	H	1	noname	0.0230
37	H18    -3.4949     0.9162     5.3136	H	1	noname	0.0230
38	H19    -2.4979    -0.5583     5.3136	H	1	noname	0.0230
@<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	5	8	1
8	6	7	1
9	7	9	1
10	9	10	2
11	9	11	1
12	12	11	1
13	12	13	1
14	12	14	1
15	13	15	2
16	13	16	1
17	14	17	1
18	14	18	1
19	17	19	1
20	4	20	1
21	5	21	1
22	5	22	1
23	7	23	1
24	8	24	1
25	8	25	1
26	8	26	1
27	11	27	1
28	12	28	1
29	14	29	1
30	16	30	1
31	17	31	1
32	17	32	1
33	18	33	1
34	18	34	1
35	18	35	1
36	19	36	1
37	19	37	1
38	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1