@<TRIPOS>MOLECULE
DB03988
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.4638    -1.0247     0.3520	O.2	1	noname	-0.2926
2	C1     3.2700    -1.3625     0.5045	C.2	1	noname	0.0410
3	N1     2.9028    -2.0526     1.5929	N.3	1	noname	-0.0854
4	C2     2.2758    -1.0054    -0.5032	C.3	1	noname	0.0786
5	N2     1.6709    -2.2217    -1.0436	N.3	1	noname	-0.3203
6	C3     1.1906    -0.1369     0.1364	C.3	1	noname	-0.0292
7	C4     0.1487     0.2374    -0.9197	C.3	1	noname	-0.0452
8	C5    -0.9364     1.1059    -0.2801	C.3	1	noname	-0.0045
9	C6    -1.9783     1.4803    -1.3361	C.3	1	noname	-0.0137
10	N3    -3.0152     2.3102    -0.7250	N.4	1	noname	-0.0093
11	H1     3.5933    -2.3126     2.2827	H	1	noname	0.1271
12	H2     1.9357    -2.3126     1.7235	H	1	noname	0.1271
13	H3     2.7864    -0.4880    -1.3155	H	1	noname	0.0559
14	H4     0.6788    -2.2524    -1.2302	H	1	noname	0.1191
15	H5     2.2451    -3.0314    -1.2302	H	1	noname	0.1191
16	H6     0.6826    -0.7596     0.8728	H	1	noname	0.0287
17	H7     1.6720     0.7907     0.4461	H	1	noname	0.0287
18	H8     0.6567     0.8601    -1.6561	H	1	noname	0.0270
19	H9    -0.3326    -0.6902    -1.2294	H	1	noname	0.0270
20	H10    -1.4444     0.4832     0.4563	H	1	noname	0.0332
21	H11    -0.4551     2.0336     0.0297	H	1	noname	0.0332
22	H12    -1.4852     2.1117    -2.0752	H	1	noname	0.0939
23	H13    -2.4746     0.5614    -1.6485	H	1	noname	0.0939
24	H14    -2.9433     2.2525     0.2808	H	1	noname	0.2554
25	H15    -2.8941     3.2695    -1.0168	H	1	noname	0.2554
26	H16    -3.9247     1.9818    -1.0168	H	1	noname	0.2554
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	3	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1