@<TRIPOS>MOLECULE
DB04162
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.8944    -2.6534    -0.9000	O.2	1	noname	-0.1377
2	N1    -5.9023    -1.7455    -0.1700	N.2	1	noname	0.0070
3	O2    -6.5402    -0.6960    -0.4729	O.3	1	noname	-0.1377
4	C1    -5.2530    -1.8112     0.9601	C.2	1	noname	0.0784
5	C2    -5.0533    -3.0363     1.6622	C.2	1	noname	0.1538
6	C3    -4.6874    -0.6636     1.5899	C.2	1	noname	0.1348
7	O3    -5.5518    -4.1798     1.1460	O.3	1	noname	-0.2315
8	N2    -4.3664    -3.0814     2.8507	N.2	1	noname	-0.1889
9	N3    -4.0079    -0.7568     2.7799	N.2	1	noname	-0.2054
10	N4    -4.8223     0.5352     1.0065	N.3	1	noname	-0.0794
11	C4    -3.8274    -1.9555     3.4415	C.2	1	noname	0.1472
12	C5    -3.5471     1.0670     0.7252	C.3	1	noname	0.0303
13	O4    -3.1557    -2.0235     4.6106	O.3	1	noname	-0.2139
14	C6    -3.7011     2.4358     0.0590	C.3	1	noname	0.0955
15	O5    -2.4168     2.9714    -0.2243	O.3	1	noname	-0.3889
16	C7    -4.4510     3.3799     1.0009	C.3	1	noname	0.1093
17	O6    -4.5939     4.6503     0.3826	O.3	1	noname	-0.3875
18	C8    -3.6633     3.5325     2.3036	C.3	1	noname	0.1056
19	O7    -4.3593     4.4087     3.1778	O.3	1	noname	-0.3878
20	C9    -2.2796     4.1096     1.9983	C.3	1	noname	0.0718
21	O8    -1.5485     4.2512     3.2074	O.3	1	noname	-0.3934
22	H1    -5.8082    -4.7682     1.8599	H	1	noname	0.2199
23	H2    -5.7186     0.9591     0.8144	H	1	noname	0.1298
24	H3    -3.0747     1.2131     1.6966	H	1	noname	0.0460
25	H4    -3.1033     0.3845     0.0005	H	1	noname	0.0460
26	H5    -3.0192    -2.9436     4.8482	H	1	noname	0.2215
27	H6    -4.2022     2.3549    -0.9056	H	1	noname	0.0642
28	H7    -1.9608     3.1617     0.5987	H	1	noname	0.2106
29	H8    -5.4666     3.0313     1.1883	H	1	noname	0.0656
30	H9    -4.6701     5.3281     1.0581	H	1	noname	0.2106
31	H10    -3.5904     2.5852     2.8380	H	1	noname	0.0652
32	H11    -4.1696     4.1699     4.0880	H	1	noname	0.2106
33	H12    -1.7295     3.3750     1.4103	H	1	noname	0.0591
34	H13    -2.4125     5.1226     1.6186	H	1	noname	0.0591
35	H14    -1.3370     3.3825     3.5571	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	6	10	1
10	8	11	2
11	9	11	1
12	10	12	1
13	11	13	1
14	12	14	1
15	14	15	1
16	14	16	1
17	16	17	1
18	16	18	1
19	18	19	1
20	18	20	1
21	20	21	1
22	7	22	1
23	10	23	1
24	12	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	20	33	1
34	20	34	1
35	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1