@<TRIPOS>MOLECULE
DB01446
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.6601     1.2331    -1.5681	N.3	1	noname	-0.0866
2	C1     2.2820     0.5556    -0.4710	C.2	1	noname	-0.0899
3	C2     1.9581     2.3874    -1.6095	C.2	1	noname	-0.1254
4	C3     1.2732     1.2857     0.1816	C.2	1	noname	-0.0327
5	C4     2.7470    -0.7049     0.0241	C.2	1	noname	-0.0441
6	C5     1.0875     2.4719    -0.5179	C.2	1	noname	-0.0353
7	C6     0.5978     0.7842     1.3403	C.2	1	noname	-0.0400
8	C7     2.1257    -1.1846     1.2159	C.2	1	noname	-0.0512
9	C8     0.1813     3.5674    -0.1860	C.3	1	noname	0.0244
10	C9     1.0613    -0.4654     1.8480	C.2	1	noname	-0.0540
11	C10     0.9047     4.5737     0.7111	C.3	1	noname	0.0053
12	N2    -0.0027     5.6708     1.0435	N.3	1	noname	-0.3276
13	C11     1.3564     3.8781     1.9969	C.3	1	noname	-0.0497
14	H1     3.3488     0.9291    -2.2414	H	1	noname	0.1522
15	H2     2.0754     3.1313    -2.3974	H	1	noname	0.0792
16	H3     3.5321    -1.2690    -0.4794	H	1	noname	0.0642
17	H4    -0.2242     1.3243     1.8101	H	1	noname	0.0629
18	H5     2.4719    -2.1212     1.6530	H	1	noname	0.0623
19	H6    -0.0421     4.0676    -1.1284	H	1	noname	0.0332
20	H7    -0.6238     3.1236     0.3996	H	1	noname	0.0332
21	H8     0.5912    -0.8803     2.7396	H	1	noname	0.0622
22	H9     1.7567     5.0107     0.1903	H	1	noname	0.0462
23	H10     0.3578     6.6072     1.1583	H	1	noname	0.1186
24	H11    -0.9902     5.4922     1.1583	H	1	noname	0.1186
25	H12     1.3088     2.7976     1.8614	H	1	noname	0.0246
26	H13     2.3807     4.1706     2.2276	H	1	noname	0.0246
27	H14     0.7013     4.1706     2.8175	H	1	noname	0.0246
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	7	1
7	4	6	1
8	5	8	2
9	6	9	1
10	7	10	2
11	8	10	1
12	9	11	1
13	11	12	1
14	11	13	1
15	1	14	1
16	3	15	1
17	5	16	1
18	7	17	1
19	8	18	1
20	9	19	1
21	9	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	12	24	1
26	13	25	1
27	13	26	1
28	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1