@<TRIPOS>MOLECULE
DB01676
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8018    -0.8551     0.2084	O.2	1	noname	-0.1440
2	N1    -0.6870    -0.9367    -0.1197	N.2	1	noname	-0.0099
3	O2    -0.2047    -2.0592    -0.4478	O.3	1	noname	-0.1440
4	C1     0.0644     0.1299    -0.1489	C.2	1	noname	0.0754
5	C2     1.4310     0.0239     0.0816	C.2	1	noname	0.1396
6	C3    -0.5020     1.3721    -0.4105	C.2	1	noname	0.1362
7	C4     2.2313     1.1600     0.0506	C.2	1	noname	0.0754
8	C5     2.0259    -1.2808     0.3564	C.3	1	noname	0.0422
9	C6     0.2983     2.5082    -0.4415	C.2	1	noname	0.0722
10	N2     3.5144     1.0604     0.2670	N.2	1	noname	-0.0099
11	C7     1.6650     2.4021    -0.2110	C.2	1	noname	0.1362
12	N3    -0.2334     3.6743    -0.6871	N.2	1	noname	-0.0111
13	O3     4.0940     1.9475     0.7511	O.2	1	noname	-0.1440
14	O4     4.1287     0.0006    -0.0489	O.3	1	noname	-0.1440
15	O5    -1.3351     3.8895    -0.3754	O.2	1	noname	-0.1443
16	O6     0.4475     4.5712    -1.2636	O.3	1	noname	-0.1443
17	H1    -1.5737     1.4552    -0.5913	H	1	noname	0.0671
18	H2     2.0937    -1.4295     1.4340	H	1	noname	0.0281
19	H3     1.4043    -2.0627    -0.0799	H	1	noname	0.0281
20	H4     3.0238    -1.3243    -0.0799	H	1	noname	0.0281
21	H5     2.2925     3.2930    -0.2354	H	1	noname	0.0671
@<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	7	10	1
10	7	11	2
11	9	12	1
12	9	11	1
13	10	13	2
14	10	14	1
15	12	15	2
16	12	16	1
17	6	17	1
18	8	18	1
19	8	19	1
20	8	20	1
21	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1