@<TRIPOS>MOLECULE
DB04128
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -7.8024    -1.9377    -0.9093	O.2	1	noname	-0.1743
2	N1    -7.7504    -0.8951    -0.3922	N.2	1	noname	-0.0406
3	C1    -7.7422    -0.8124     0.9102	C.2	1	noname	0.0702
4	C2    -8.3870    -1.7715     1.7457	C.2	1	noname	0.1415
5	C3    -7.0879     0.2441     1.6096	C.2	1	noname	0.1220
6	O2    -9.0347    -2.8106     1.1770	O.3	1	noname	-0.2337
7	N2    -8.3652    -1.6640     3.1148	N.2	1	noname	-0.1922
8	N3    -7.0925     0.3107     2.9814	N.2	1	noname	-0.2087
9	N4    -6.4529     1.1953     0.9112	N.3	1	noname	-0.0822
10	C4    -7.7243    -0.6308     3.7698	C.2	1	noname	0.1397
11	C5    -5.1121     0.8109     0.7049	C.3	1	noname	0.0303
12	O3    -7.7159    -0.5453     5.1171	O.3	1	noname	-0.2149
13	C6    -4.3871     1.8969    -0.0925	C.3	1	noname	0.0955
14	O4    -3.0368     1.5098    -0.3003	O.3	1	noname	-0.3889
15	C7    -4.4262     3.2133     0.6863	C.3	1	noname	0.1093
16	O5    -3.7533     4.2212    -0.0537	O.3	1	noname	-0.3875
17	C8    -3.7353     3.0264     2.0386	C.3	1	noname	0.1056
18	O6    -3.7715     4.2481     2.7615	O.3	1	noname	-0.3878
19	C9    -2.2804     2.6093     1.8147	C.3	1	noname	0.0718
20	O7    -1.6392     2.4359     3.0698	O.3	1	noname	-0.3934
21	H1    -9.3899    -3.3804     1.8631	H	1	noname	0.2199
22	H2    -6.9016     2.0444     0.5984	H	1	noname	0.1298
23	H3    -4.6684     0.7663     1.6995	H	1	noname	0.0460
24	H4    -5.1610    -0.0872     0.0891	H	1	noname	0.0460
25	H5    -7.7135    -1.4283     5.4938	H	1	noname	0.2215
26	H6    -4.8140     2.0111    -1.0889	H	1	noname	0.0642
27	H7    -2.6052     1.3860     0.5482	H	1	noname	0.2106
28	H8    -5.4476     3.5739     0.8076	H	1	noname	0.0656
29	H9    -3.3398     4.8407     0.5520	H	1	noname	0.2106
30	H10    -4.2652     2.3045     2.6600	H	1	noname	0.0652
31	H11    -3.7660     4.0629     3.7034	H	1	noname	0.2106
32	H12    -2.2795     1.6237     1.3491	H	1	noname	0.0591
33	H13    -1.7612     3.4391     1.3351	H	1	noname	0.0591
34	H14    -1.5449     1.4985     3.2542	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	7	10	2
10	8	10	1
11	9	11	1
12	10	12	1
13	11	13	1
14	13	14	1
15	13	15	1
16	15	16	1
17	15	17	1
18	17	18	1
19	17	19	1
20	19	20	1
21	6	21	1
22	9	22	1
23	11	23	1
24	11	24	1
25	12	25	1
26	13	26	1
27	14	27	1
28	15	28	1
29	16	29	1
30	17	30	1
31	18	31	1
32	19	32	1
33	19	33	1
34	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1