@<TRIPOS>MOLECULE
DB02720
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4354     0.5912     0.2725	O.3	1	noname	-0.3583
2	C1     0.5189     2.0188     0.5863	C.3	1	noname	0.1499
3	C2     1.2835     0.0054    -0.7675	C.3	1	noname	0.1102
4	C3    -0.7672     2.4936     0.9931	C.2	1	noname	0.0278
5	C4     1.0801     2.9388    -0.5371	C.3	1	noname	0.1165
6	C5     2.5833     0.7876    -1.1186	C.3	1	noname	0.1110
7	C6     1.6410    -1.4320    -0.3843	C.3	1	noname	0.0721
8	O2    -1.3605     1.9692     2.0492	O.3	1	noname	-0.2582
9	N1    -1.3407     3.4234     0.3358	N.2	1	noname	-0.2320
10	O3     0.0674     3.1775    -1.5034	O.3	1	noname	-0.3870
11	C7     2.3321     2.3234    -1.2368	C.3	1	noname	0.1115
12	O4     3.1137     0.2992    -2.3420	O.3	1	noname	-0.3874
13	O5     0.4519    -2.1975    -0.2565	O.3	1	noname	-0.3934
14	O6     3.4962     3.0262    -0.8279	O.3	1	noname	-0.3874
15	H1     1.1916     2.0463     1.4436	H	1	noname	0.0722
16	H2     0.6277     0.0618    -1.6363	H	1	noname	0.0656
17	H3     1.3235     3.9189    -0.1270	H	1	noname	0.0661
18	H4     3.3523     0.5877    -0.3724	H	1	noname	0.0657
19	H5     2.1858    -1.8778    -1.2166	H	1	noname	0.0591
20	H6     2.0848    -1.4157     0.6112	H	1	noname	0.0591
21	H7    -1.3282     1.0114     1.9917	H	1	noname	0.2196
22	H8    -1.7499     4.0867     0.9781	H	1	noname	0.1896
23	H9    -0.7603     3.3726    -1.0580	H	1	noname	0.2107
24	H10     2.1904     2.5120    -2.3009	H	1	noname	0.0657
25	H11     3.1094    -0.6607    -2.3320	H	1	noname	0.2106
26	H12     0.2524    -2.3259     0.6737	H	1	noname	0.2101
27	H13     3.5354     3.0499     0.1311	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	2
9	5	10	1
10	5	11	1
11	6	12	1
12	6	11	1
13	7	13	1
14	11	14	1
15	2	15	1
16	3	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	7	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	12	25	1
26	13	26	1
27	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1