@<TRIPOS>MOLECULE
DB02278
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4952     0.8864     1.1420	O.2	1	noname	-0.2748
2	C1     1.4413     0.2100     0.0922	C.2	1	noname	0.0927
3	N1     2.4807     0.2433    -0.8044	N.3	1	noname	0.0507
4	C2     0.3020    -0.5989    -0.1800	C.2	1	noname	0.1028
5	C3     2.4920    -0.4641    -1.9745	C.2	1	noname	-0.0796
6	N2    -0.7779    -0.7515     0.6040	N.2	1	noname	-0.1597
7	C4     0.3819    -1.3598    -1.3805	C.2	1	noname	0.0101
8	N3     1.4346    -1.2808    -2.2430	N.2	1	noname	-0.2157
9	N4     3.5148    -0.3573    -2.8336	N.3	1	noname	-0.1236
10	C5    -1.7411    -1.5919     0.3564	C.2	1	noname	0.0500
11	N5    -0.6290    -2.2278    -1.6703	N.3	1	noname	-0.0975
12	O2    -2.7409    -1.6703     1.2148	O.3	1	noname	-0.2567
13	C6    -1.7709    -2.4536    -0.8254	C.3	1	noname	0.0828
14	C7    -1.7993    -3.9193    -0.3873	C.3	1	noname	-0.0389
15	C8    -3.0914    -2.2910    -1.5808	C.3	1	noname	-0.0389
16	H1     3.2817     0.8205    -0.5914	H	1	noname	0.1400
17	H2     3.9911    -1.1870    -3.1574	H	1	noname	0.1268
18	H3     3.8094     0.5529    -3.1574	H	1	noname	0.1268
19	H4    -0.5281    -2.7229    -2.5449	H	1	noname	0.1307
20	H5    -2.3965    -1.6433     2.1105	H	1	noname	0.2196
21	H6    -1.8004    -3.9732     0.7013	H	1	noname	0.0254
22	H7    -2.6987    -4.3972    -0.7756	H	1	noname	0.0254
23	H8    -0.9191    -4.4317    -0.7756	H	1	noname	0.0254
24	H9    -3.9086    -2.1903    -0.8665	H	1	noname	0.0254
25	H10    -3.0444    -1.4000    -2.2070	H	1	noname	0.0254
26	H11    -3.2621    -3.1666    -2.2070	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	2
10	7	11	1
11	7	8	1
12	10	12	1
13	10	13	1
14	11	13	1
15	13	14	1
16	13	15	1
17	3	16	1
18	9	17	1
19	9	18	1
20	11	19	1
21	12	20	1
22	14	21	1
23	14	22	1
24	14	23	1
25	15	24	1
26	15	25	1
27	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1