@<TRIPOS>MOLECULE
DB01778
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6372    -3.4444     0.0693	O.2	1	noname	-0.2789
2	C1    -0.0179    -2.3590     0.0951	C.2	1	noname	0.0345
3	N1     1.3659    -2.3352     0.1236	N.3	1	noname	0.0907
4	N2    -0.6955    -1.1653     0.0956	N.3	1	noname	0.0406
5	C2     2.1162    -1.1874     0.1565	C.2	1	noname	0.0767
6	C3     2.0476    -3.5695     0.1185	C.3	1	noname	0.0038
7	C4     0.0129     0.0037     0.0905	C.2	1	noname	-0.0632
8	C5    -2.1053    -1.1452     0.1014	C.3	1	noname	0.0017
9	O2     3.3642    -1.2232     0.2158	O.2	1	noname	-0.2786
10	C6     1.4114     0.0391     0.1203	C.2	1	noname	0.0082
11	N3    -0.4152     1.2796    -0.0185	N.3	1	noname	-0.0049
12	N4     1.8180     1.3092     0.0258	N.3	1	noname	0.0111
13	C7     0.6901     2.0491    -0.0754	C.2	1	noname	-0.0849
14	N5     0.6740     3.3469    -0.2113	N.2	1	noname	-0.2638
15	H1     2.2250    -3.8908     1.1449	H	1	noname	0.0405
16	H2     1.4433    -4.3162    -0.3966	H	1	noname	0.0405
17	H3     3.0014    -3.4556    -0.3966	H	1	noname	0.0405
18	H4    -2.4644    -1.1401     1.1306	H	1	noname	0.0404
19	H5    -2.4580    -0.2501    -0.4109	H	1	noname	0.0404
20	H6    -2.4834    -2.0299    -0.4109	H	1	noname	0.0404
21	H7    -1.3738     1.5962    -0.0510	H	1	noname	0.1378
22	H8     2.7727     1.6390     0.0299	H	1	noname	0.1370
23	H9     0.6686     3.7809     0.7007	H	1	noname	0.1898
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	2
9	5	10	1
10	7	11	1
11	7	10	2
12	10	12	1
13	11	13	1
14	12	13	1
15	13	14	2
16	6	15	1
17	6	16	1
18	6	17	1
19	8	18	1
20	8	19	1
21	8	20	1
22	11	21	1
23	12	22	1
24	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1