@<TRIPOS>MOLECULE
DB02528
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.8965     1.0335     1.0095	O.2	1	noname	-0.2995
2	C1     4.7476     0.6241     0.9802	C.2	1	noname	0.1348
3	C2     3.9878     0.7119    -0.2281	C.3	1	noname	0.0662
4	N1     3.5838    -0.6288    -0.6483	N.3	1	noname	-0.3214
5	C3     2.7427     1.5676     0.0136	C.3	1	noname	0.0130
6	C4     1.9669     1.6573    -1.2200	C.2	1	noname	0.0214
7	N2     1.4345     0.6279    -1.8920	N.2	1	noname	-0.2313
8	C5     1.6503     2.8294    -1.9056	C.2	1	noname	-0.0468
9	C6     0.7984     1.1231    -2.9636	C.2	1	noname	-0.0288
10	N3     0.9752     2.4532    -3.0127	N.3	1	noname	-0.0102
11	C7     0.6840     3.2040    -4.1196	C.2	1	noname	0.1577
12	N4    -0.1320     2.8802    -5.1332	N.2	1	noname	-0.0796
13	N5     1.2943     4.3397    -4.4838	N.2	1	noname	-0.2723
14	N6    -0.0087     3.7847    -6.0423	N.2	1	noname	-0.1742
15	N7     0.8521     4.6651    -5.6521	N.3	1	noname	0.0217
16	H1     4.4305     0.2188     1.9411	H	1	noname	0.1058
17	H2     4.6445     1.1350    -0.9883	H	1	noname	0.0545
18	H3     2.6067    -0.8396    -0.7934	H	1	noname	0.1191
19	H4     4.2817    -1.3443    -0.7934	H	1	noname	0.1191
20	H5     2.1117     1.0367     0.7265	H	1	noname	0.0353
21	H6     3.0774     2.5817     0.2316	H	1	noname	0.0353
22	H7     1.8878     3.8558    -1.6261	H	1	noname	0.0816
23	H8     0.2268     0.5361    -3.6825	H	1	noname	0.1019
24	H9     1.1350     5.4797    -6.1778	H	1	noname	0.2008
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	3	5	1
5	5	6	1
6	6	7	1
7	6	8	2
8	7	9	2
9	8	10	1
10	9	10	1
11	10	11	1
12	11	12	1
13	11	13	2
14	12	14	2
15	13	15	1
16	14	15	1
17	2	16	1
18	3	17	1
19	4	18	1
20	4	19	1
21	5	20	1
22	5	21	1
23	8	22	1
24	9	23	1
25	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1