@<TRIPOS>MOLECULE
DB01742
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3926     2.3258     1.1362	O.2	1	noname	-0.2964
2	C1     1.2719     2.3585     0.5834	C.2	1	noname	0.0404
3	N1     0.6735     1.2178     0.2142	N.3	1	noname	-0.0710
4	C2     0.6151     3.6395     0.3401	C.3	1	noname	0.0097
5	C3    -0.6667     1.2843    -0.4451	C.3	1	noname	0.0083
6	C4     1.3672    -0.0807     0.4747	C.3	1	noname	0.0058
7	C5    -1.3992    -0.0044    -0.8901	C.3	1	noname	-0.0309
8	C6     0.7181    -1.4252     0.0674	C.3	1	noname	-0.0396
9	C7    -0.6707    -1.3440    -0.6151	C.3	1	noname	-0.0482
10	C8    -2.7926    -0.0427    -0.2593	C.3	1	noname	-0.0613
11	H1     0.3735     4.1106     1.2928	H	1	noname	0.0324
12	H2     1.2826     4.2881    -0.2271	H	1	noname	0.0324
13	H3    -0.3012     3.4759    -0.2271	H	1	noname	0.0324
14	H4    -1.3056     1.7225     0.3216	H	1	noname	0.0438
15	H5    -0.4693     1.8304    -1.3675	H	1	noname	0.0438
16	H6     2.2732    -0.0099    -0.1273	H	1	noname	0.0435
17	H7     1.4368    -0.1179     1.5618	H	1	noname	0.0435
18	H8    -1.4536     0.0674    -1.9764	H	1	noname	0.0313
19	H9     1.3836    -1.8481    -0.6852	H	1	noname	0.0280
20	H10     0.5473    -1.9561     1.0039	H	1	noname	0.0280
21	H11    -1.3322    -1.8619     0.0794	H	1	noname	0.0270
22	H12    -0.4959    -1.7539    -1.6098	H	1	noname	0.0270
23	H13    -2.6999    -0.0402     0.8267	H	1	noname	0.0234
24	H14    -3.3597     0.8320    -0.5776	H	1	noname	0.0234
25	H15    -3.3108    -0.9473    -0.5776	H	1	noname	0.0234
@<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	1
9	7	10	1
10	8	9	1
11	4	11	1
12	4	12	1
13	4	13	1
14	5	14	1
15	5	15	1
16	6	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	9	21	1
22	9	22	1
23	10	23	1
24	10	24	1
25	10	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1