@<TRIPOS>MOLECULE
DB04169
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0925    -1.1097    -0.0021	O.2	1	noname	-0.2870
2	C1     1.4364    -0.0457    -0.0015	C.2	1	noname	0.0344
3	N1     2.0309     1.1810     0.0001	N.3	1	noname	-0.0254
4	C2     0.0207    -0.0253    -0.0025	C.2	1	noname	-0.0209
5	N2     1.3743     2.3322    -0.0023	N.3	1	noname	-0.0254
6	C3    -0.6872    -1.2632    -0.0095	C.2	1	noname	0.0165
7	C4    -0.6990     1.2370     0.0177	C.2	1	noname	0.0226
8	C5     0.0155     2.4601     0.0008	C.2	1	noname	0.0416
9	N3    -0.0291    -2.4302    -0.0336	N.3	1	noname	-0.1432
10	C6    -2.1166    -1.2286     0.0099	C.2	1	noname	-0.0507
11	C7    -2.1224     1.2615     0.0916	C.2	1	noname	-0.0468
12	O2    -0.5552     3.5721    -0.0104	O.2	1	noname	-0.2872
13	C8    -2.8195     0.0136     0.0789	C.2	1	noname	-0.0075
14	N4    -4.1584     0.0086     0.1326	N.3	1	noname	-0.1507
15	H1     3.0390     1.2417     0.0034	H	1	noname	0.1513
16	H2     1.9458     3.1650    -0.0067	H	1	noname	0.1513
17	H3    -0.5429    -3.2996    -0.0427	H	1	noname	0.1243
18	H4     0.9808    -2.4403    -0.0427	H	1	noname	0.1243
19	H5    -2.6781    -2.1620    -0.0283	H	1	noname	0.0656
20	H6    -2.6618     2.2064     0.1561	H	1	noname	0.0647
21	H7    -4.6663     0.8814     0.1528	H	1	noname	0.1242
22	H8    -4.6598    -0.8680     0.1528	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	10	1
10	7	11	2
11	7	8	1
12	8	12	2
13	10	13	2
14	11	13	1
15	13	14	1
16	3	15	1
17	5	16	1
18	9	17	1
19	9	18	1
20	10	19	1
21	11	20	1
22	14	21	1
23	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1