@<TRIPOS>MOLECULE
DB02041
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0925    -1.1097    -0.0021	O.2	1	noname	-0.2874
2	C1     1.4364    -0.0457    -0.0015	C.2	1	noname	0.0412
3	N1     2.0309     1.1810     0.0001	N.3	1	noname	-0.0257
4	C2     0.0207    -0.0253    -0.0025	C.2	1	noname	0.0271
5	N2     1.3743     2.3322    -0.0023	N.3	1	noname	-0.0262
6	C3    -0.6990     1.2370     0.0177	C.2	1	noname	-0.0051
7	C4    -0.6872    -1.2632    -0.0095	C.2	1	noname	-0.0133
8	C5     0.0155     2.4601     0.0008	C.2	1	noname	0.0339
9	C6    -2.1224     1.2615     0.0916	C.2	1	noname	-0.0054
10	C7    -2.1166    -1.2286     0.0099	C.2	1	noname	-0.0039
11	O2    -0.5552     3.5721    -0.0104	O.2	1	noname	-0.2881
12	C8    -2.8195     0.0136     0.0789	C.2	1	noname	-0.0387
13	N3    -2.8062    -2.3765    -0.0371	N.3	1	noname	-0.1512
14	H1     3.0390     1.2417     0.0034	H	1	noname	0.1513
15	H2     1.9458     3.1650    -0.0067	H	1	noname	0.1513
16	H3    -0.1497    -2.2112    -0.0291	H	1	noname	0.0647
17	H4    -2.6618     2.2064     0.1561	H	1	noname	0.0631
18	H5    -3.9086     0.0092     0.1226	H	1	noname	0.0639
19	H6    -3.8159    -2.3587    -0.0549	H	1	noname	0.1242
20	H7    -2.3163    -3.2596    -0.0549	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	6	8	1
10	7	10	2
11	8	11	2
12	9	12	2
13	10	13	1
14	10	12	1
15	3	14	1
16	5	15	1
17	7	16	1
18	9	17	1
19	12	18	1
20	13	19	1
21	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1