@<TRIPOS>MOLECULE
DB04840
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.4894     3.8986    -1.3195	N.2	1	noname	-0.2729
2	C1     0.2716     3.5258    -1.3817	C.2	1	noname	-0.1404
3	N2    -0.0518     2.2921    -1.0825	N.3	1	noname	-0.1116
4	N3    -0.6560     4.3765    -1.7447	N.3	1	noname	-0.1330
5	C2    -1.4340     2.2618    -0.5271	C.3	1	noname	0.0308
6	C3     0.1668     1.4213    -2.2673	C.3	1	noname	0.0098
7	C4    -1.9376     0.8794    -0.3141	C.2	1	noname	-0.0506
8	C5    -0.2312    -0.0596    -2.0259	C.3	1	noname	0.0158
9	C6    -1.3255    -0.2203    -1.0194	C.2	1	noname	-0.0480
10	C7    -3.1061     0.6843     0.4892	C.2	1	noname	-0.0540
11	C8    -1.8021    -1.5487    -0.8260	C.2	1	noname	-0.0613
12	C9    -3.6354    -0.6366     0.5861	C.2	1	noname	-0.0660
13	C10    -2.9734    -1.7412    -0.0356	C.2	1	noname	-0.0622
14	H1     1.7665     3.9834    -0.3519	H	1	noname	0.1898
15	H2    -0.4225     5.3491    -1.8847	H	1	noname	0.1267
16	H3    -1.6048     4.0598    -1.8847	H	1	noname	0.1267
17	H4    -1.3726     2.7157     0.4620	H	1	noname	0.0486
18	H5    -2.0762     2.7021    -1.2899	H	1	noname	0.0486
19	H6    -0.5076     1.8072    -3.0317	H	1	noname	0.0439
20	H7     1.2439     1.4338    -2.4341	H	1	noname	0.0439
21	H8    -0.6476    -0.4281    -2.9634	H	1	noname	0.0329
22	H9     0.6375    -0.5490    -1.5856	H	1	noname	0.0329
23	H10    -3.5785     1.5163     1.0114	H	1	noname	0.0626
24	H11    -1.2833    -2.3972    -1.2721	H	1	noname	0.0625
25	H12    -4.5577    -0.8040     1.1424	H	1	noname	0.0622
26	H13    -3.3688    -2.7484     0.0955	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	5	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	9	1
11	9	11	1
12	10	12	2
13	11	13	2
14	12	13	1
15	1	14	1
16	4	15	1
17	4	16	1
18	5	17	1
19	5	18	1
20	6	19	1
21	6	20	1
22	8	21	1
23	8	22	1
24	10	23	1
25	11	24	1
26	12	25	1
27	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1