@<TRIPOS>MOLECULE
DB01789
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5838     3.8107    -1.8904	O.3	1	noname	-0.3883
2	C1    -0.4346     2.8801    -0.8283	C.3	1	noname	0.0989
3	C2    -1.3498     1.6431    -1.0881	C.3	1	noname	0.0518
4	C3     1.0799     2.4842    -0.6875	C.3	1	noname	0.0856
5	N1    -1.2033     1.2117    -2.4773	N.3	1	noname	-0.3222
6	C4    -1.0156     0.5350    -0.1961	C.2	1	noname	-0.0569
7	O2     1.8299     3.6189    -0.2797	O.3	1	noname	-0.3899
8	C5     1.3080     1.3173     0.3264	C.3	1	noname	-0.0009
9	C6     0.1765     0.3913     0.4223	C.2	1	noname	-0.0513
10	C7     0.3497    -0.7669     1.2430	C.3	1	noname	0.0644
11	O3     0.8730    -1.8288     0.4588	O.3	1	noname	-0.3919
12	H1    -0.7000     3.3368    -2.7172	H	1	noname	0.2106
13	H2    -0.7739     3.4095     0.0620	H	1	noname	0.0647
14	H3    -2.4006     1.8709    -0.9094	H	1	noname	0.0535
15	H4     1.4872     2.2079    -1.6601	H	1	noname	0.0631
16	H5    -2.0226     1.0627    -3.0489	H	1	noname	0.1190
17	H6    -0.2828     1.0627    -2.8654	H	1	noname	0.1190
18	H7    -1.7243    -0.2617     0.0299	H	1	noname	0.0593
19	H8     1.8556     3.6578     0.6791	H	1	noname	0.2105
20	H9     2.1272     0.7118    -0.0613	H	1	noname	0.0341
21	H10     1.3825     1.7644     1.3176	H	1	noname	0.0341
22	H11     1.1114    -0.5200     1.9827	H	1	noname	0.0611
23	H12    -0.6437    -1.0775     1.5665	H	1	noname	0.0611
24	H13     1.2118    -2.5165     1.0366	H	1	noname	0.2104
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	2
9	8	9	1
10	9	10	1
11	10	11	1
12	1	12	1
13	2	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	10	22	1
23	10	23	1
24	11	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1