@<TRIPOS>MOLECULE
DB01833
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.5026    -0.8691     0.0173	O.2	1	noname	-0.2496
2	C1     3.3713    -1.2708     0.3656	C.2	1	noname	0.1437
3	O2     3.2187    -1.9278     1.5350	O.3	1	noname	-0.2140
4	C2     2.2149    -1.0294    -0.4924	C.3	1	noname	0.0935
5	N1     1.6206    -2.3076    -0.8803	N.3	1	noname	-0.3193
6	C3     1.1810    -0.1961     0.2677	C.3	1	noname	-0.0027
7	C4    -0.0308     0.0568    -0.6314	C.3	1	noname	0.0708
8	O3    -0.9903     0.8303     0.0740	O.3	1	noname	-0.3142
9	N2    -2.0200     1.0452    -0.6900	N.3	1	noname	-0.0232
10	C5    -2.9051     1.7587    -0.0392	C.2	1	noname	-0.1047
11	N3    -3.9998     2.0869    -0.6047	N.2	1	noname	-0.2613
12	N4    -2.6657     2.1350     1.1925	N.3	1	noname	-0.1234
13	H1     3.2396    -2.8742     1.3754	H	1	noname	0.2213
14	H2     2.5610    -0.5259    -1.3950	H	1	noname	0.0572
15	H3     0.6222    -2.3804    -1.0142	H	1	noname	0.1191
16	H4     2.2085    -3.1179    -1.0142	H	1	noname	0.1191
17	H5     0.8333    -0.8085     1.0996	H	1	noname	0.0312
18	H6     1.6386     0.7745     0.4594	H	1	noname	0.0312
19	H7     0.2912     0.6820    -1.4642	H	1	noname	0.0588
20	H8    -0.5141    -0.9010    -0.8240	H	1	noname	0.0588
21	H9    -2.1168     0.7110    -1.6381	H	1	noname	0.1639
22	H10    -4.6933     2.2949     0.0995	H	1	noname	0.1899
23	H11    -1.7147     2.2801     1.5004	H	1	noname	0.1268
24	H12    -3.4320     2.2801     1.8343	H	1	noname	0.1268
@<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	10	11	2
11	10	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	9	21	1
21	11	22	1
22	12	23	1
23	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1