@<TRIPOS>MOLECULE
DB01796
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4557    -1.4305     0.5267	O.2	1	noname	-0.2466
2	C1    -1.0385    -0.8946    -0.5227	C.2	1	noname	0.1241
3	O2    -1.6543    -1.1426    -1.6982	O.3	1	noname	-0.2099
4	C2     0.0596    -0.0434    -0.4794	C.2	1	noname	0.0985
5	N1     1.0546    -0.2256     0.4754	N.2	1	noname	-0.1921
6	C3     0.1808     1.0329    -1.4178	C.2	1	noname	0.0749
7	C4     2.1798     0.5851     0.5789	C.2	1	noname	0.0310
8	C5    -0.7927     1.2472    -2.3865	C.2	1	noname	0.1045
9	C6     1.3369     1.8865    -1.3313	C.2	1	noname	0.0261
10	C7     2.3502     1.6780    -0.3369	C.2	1	noname	0.0078
11	O3    -0.6708     2.1909    -3.1971	O.2	1	noname	-0.2560
12	O4    -1.8699     0.4361    -2.4520	O.3	1	noname	-0.2167
13	H1    -1.7231    -2.0911    -1.8295	H	1	noname	0.2217
14	H2     2.9102     0.3691     1.3586	H	1	noname	0.0839
15	H3     1.4477     2.7108    -2.0359	H	1	noname	0.0632
16	H4     3.2222     2.3295    -0.2791	H	1	noname	0.0639
17	H5    -2.1603     0.2174    -1.5635	H	1	noname	0.2216
@<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	6	8	1
8	6	9	2
9	7	10	2
10	8	11	2
11	8	12	1
12	9	10	1
13	3	13	1
14	7	14	1
15	9	15	1
16	10	16	1
17	12	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1