@<TRIPOS>MOLECULE
DB04544
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4179    -0.0963    -0.1326	O.3	1	noname	-0.3360
2	C1     1.8767    -0.1831    -0.0427	C.3	1	noname	0.2547
3	C2    -0.2500    -0.0939    -1.4356	C.3	1	noname	0.1127
4	N1     2.2401    -1.4687     0.2822	N.2	1	noname	-0.2009
5	C3     2.3137     0.5798     1.0850	C.2	1	noname	0.0416
6	C4     2.6724     0.2796    -1.2982	C.3	1	noname	0.1403
7	C5     0.5510    -0.7065    -2.6220	C.3	1	noname	0.1112
8	C6    -1.6032    -0.7980    -1.3163	C.3	1	noname	0.0722
9	C7     1.5129    -2.4492    -0.0859	C.2	1	noname	0.0302
10	O2     1.8901     0.2694     2.2961	O.3	1	noname	-0.2509
11	N2     3.1124     1.5600     0.9208	N.2	1	noname	-0.2221
12	O3     2.7264     1.6982    -1.3280	O.3	1	noname	-0.3845
13	C8     2.0419    -0.2451    -2.6259	C.3	1	noname	0.1138
14	O4    -0.0622    -0.3365    -3.8482	O.3	1	noname	-0.3874
15	O5    -2.4106    -0.1143    -0.3693	O.3	1	noname	-0.3934
16	O6     0.4110    -2.2299    -0.7789	O.3	1	noname	-0.2641
17	C9     1.8909    -3.7863     0.2520	C.3	1	noname	-0.0001
18	O7     2.8558    -1.2787    -3.1604	O.3	1	noname	-0.3873
19	H1    -0.3439     0.9751    -1.6268	H	1	noname	0.0657
20	H2     3.7096    -0.0465    -1.2209	H	1	noname	0.0686
21	H3     0.4931    -1.7945    -2.5892	H	1	noname	0.0657
22	H4    -2.1224    -0.6953    -2.2692	H	1	noname	0.0591
23	H5    -1.4327    -1.7876    -0.8925	H	1	noname	0.0591
24	H6     1.8577    -0.6856     2.3887	H	1	noname	0.2197
25	H7     3.4008     1.9139     1.8218	H	1	noname	0.1897
26	H8     2.7393     2.0370    -0.4299	H	1	noname	0.2108
27	H9     2.0822     0.5965    -3.3174	H	1	noname	0.0658
28	H10    -0.3058    -1.1270    -4.3355	H	1	noname	0.2106
29	H11    -2.1319    -0.3503     0.5185	H	1	noname	0.2101
30	H12    -0.3221    -2.0841    -0.1766	H	1	noname	0.2195
31	H13     1.9209    -3.8923     1.3364	H	1	noname	0.0317
32	H14     1.1636    -4.4849    -0.1614	H	1	noname	0.0317
33	H15     2.8764    -4.0007    -0.1614	H	1	noname	0.0317
34	H16     3.2500    -1.7792    -2.4423	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	2	6	1
6	3	7	1
7	3	8	1
8	4	9	2
9	5	10	1
10	5	11	2
11	6	12	1
12	6	13	1
13	7	14	1
14	7	13	1
15	8	15	1
16	9	16	1
17	9	17	1
18	13	18	1
19	3	19	1
20	6	20	1
21	7	21	1
22	8	22	1
23	8	23	1
24	10	24	1
25	11	25	1
26	12	26	1
27	13	27	1
28	14	28	1
29	15	29	1
30	16	30	1
31	17	31	1
32	17	32	1
33	17	33	1
34	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1