@<TRIPOS>MOLECULE
DB00824
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.8655    -1.7724     0.1892	O.2	1	noname	-0.2643
2	C1    -2.0842    -0.7968     0.1756	C.2	1	noname	0.0905
3	N1    -0.7257    -0.9874     0.2321	N.3	1	noname	-0.0870
4	N2    -2.5710     0.4943     0.1034	N.3	1	noname	0.0969
5	C2     0.1031     0.0999     0.1891	C.2	1	noname	0.0861
6	C3    -0.1913    -2.2883     0.3331	C.3	1	noname	0.0134
7	C4    -1.7784     1.6121     0.0429	C.2	1	noname	0.0705
8	N3     1.4446     0.1770     0.2903	N.2	1	noname	-0.1997
9	C5    -0.3794     1.4083     0.0721	C.2	1	noname	-0.0072
10	C6     0.0489    -2.8514    -1.0691	C.3	1	noname	-0.0423
11	O2    -2.2703     2.7587    -0.0346	O.2	1	noname	-0.2788
12	C7     1.7626     1.4834     0.1865	C.2	1	noname	-0.0206
13	N4     0.6595     2.2482     0.0250	N.3	1	noname	-0.0032
14	C8     0.6288    -4.2630    -0.9594	C.3	1	noname	-0.0641
15	H1    -3.5719     0.6297     0.0943	H	1	noname	0.1418
16	H2     0.7761    -2.1658     0.8203	H	1	noname	0.0440
17	H3    -0.9699    -2.8838     0.8097	H	1	noname	0.0440
18	H4    -0.9289    -2.9486    -1.5408	H	1	noname	0.0277
19	H5     0.8171    -2.2305    -1.5301	H	1	noname	0.0277
20	H6     2.7804     1.8714     0.2278	H	1	noname	0.1013
21	H7     0.6194     3.2490    -0.1051	H	1	noname	0.1539
22	H8     0.7385    -4.5300     0.0916	H	1	noname	0.0231
23	H9    -0.0428    -4.9704    -1.4459	H	1	noname	0.0231
24	H10     1.6037    -4.2941    -1.4459	H	1	noname	0.0231
@<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	5	8	1
8	5	9	2
9	6	10	1
10	7	11	2
11	7	9	1
12	8	12	2
13	9	13	1
14	10	14	1
15	12	13	1
16	4	15	1
17	6	16	1
18	6	17	1
19	10	18	1
20	10	19	1
21	12	20	1
22	13	21	1
23	14	22	1
24	14	23	1
25	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1