@<TRIPOS>MOLECULE
DB07452
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9235    -1.3056    -0.4424	O.2	1	noname	-0.2876
2	C1     1.1998    -0.3252    -0.7205	C.2	1	noname	0.0560
3	N1     1.6876     0.7153    -1.4577	N.3	1	noname	0.0411
4	C2    -0.1371    -0.2694    -0.2802	C.2	1	noname	0.0402
5	C3     0.9512     1.8141    -1.8260	C.2	1	noname	-0.0863
6	C4    -0.9209     0.8706    -0.7010	C.2	1	noname	0.0524
7	C5    -0.6409    -1.2728     0.5864	C.2	1	noname	0.0072
8	N2    -0.3464     1.8873    -1.4235	N.2	1	noname	-0.2211
9	N3     1.4971     2.7905    -2.5638	N.3	1	noname	-0.1247
10	C6    -2.2937     1.0003    -0.3510	C.2	1	noname	0.0421
11	C7    -1.9669    -1.0386     0.9957	C.2	1	noname	-0.0767
12	C8    -2.7605     0.0185     0.5414	C.2	1	noname	0.0171
13	N4    -2.6562    -1.6920     1.9312	N.3	1	noname	-0.0265
14	N5    -3.9240    -0.0083     1.1918	N.2	1	noname	-0.2511
15	C9    -3.8294    -1.0393     2.0624	C.2	1	noname	-0.0116
16	N6    -4.7819    -1.3707     2.9447	N.3	1	noname	-0.1054
17	H1     2.6536     0.6693    -1.7488	H	1	noname	0.1400
18	H2    -0.0643    -2.1405     0.9071	H	1	noname	0.0652
19	H3     2.4663     2.7316    -2.8418	H	1	noname	0.1268
20	H4     0.9394     3.5853    -2.8418	H	1	noname	0.1268
21	H5    -2.9378     1.7905    -0.7366	H	1	noname	0.0669
22	H6    -2.3523    -2.5121     2.4363	H	1	noname	0.1553
23	H7    -5.4283    -0.6695     3.2772	H	1	noname	0.1270
24	H8    -4.8534    -2.3217     3.2772	H	1	noname	0.1270
@<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	2
8	5	9	1
9	6	10	1
10	6	8	1
11	7	11	2
12	10	12	2
13	11	13	1
14	11	12	1
15	12	14	1
16	13	15	1
17	14	15	2
18	15	16	1
19	3	17	1
20	7	18	1
21	9	19	1
22	9	20	1
23	10	21	1
24	13	22	1
25	16	23	1
26	16	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1