@<TRIPOS>MOLECULE
DB07106
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1300    -1.6971     0.0000	S.3	1	noname	-0.0861
2	C1     3.8300    -1.6971     0.0000	C.2	1	noname	-0.0564
3	C2     1.5300     0.0000     0.0000	C.3	1	noname	0.0005
4	N1     4.4675    -2.8012     0.0000	N.2	1	noname	-0.2623
5	N2     4.4850    -0.5626     0.0000	N.3	1	noname	-0.1264
6	C3     0.0000     0.0000     0.0000	C.3	1	noname	-0.0425
7	C4    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0396
8	C5    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0024
9	N3    -2.5273     2.8209     0.0000	N.3	1	noname	-0.3093
10	C6    -3.9893     2.8209     0.0000	C.3	1	noname	-0.0136
11	C7    -2.0400     3.5101    -1.1937	C.3	1	noname	-0.0136
12	H1     1.7919     0.4779     0.9440	H	1	noname	0.0384
13	H2     1.7919     0.4779    -0.9440	H	1	noname	0.0384
14	H3     4.6358    -3.0928     0.9522	H	1	noname	0.1893
15	H4     5.4950    -0.5626     0.0000	H	1	noname	0.1262
16	H5     3.9800     0.3121     0.0000	H	1	noname	0.1262
17	H6    -0.3147    -0.4450    -0.9440	H	1	noname	0.0275
18	H7    -0.3147    -0.4450     0.9440	H	1	noname	0.0275
19	H8    -0.1953     1.8875     0.9440	H	1	noname	0.0280
20	H9    -0.1953     1.8875    -0.9440	H	1	noname	0.0280
21	H10    -2.3688     1.0078    -0.9440	H	1	noname	0.0430
22	H11    -2.3688     1.0078     0.9440	H	1	noname	0.0430
23	H12    -4.3527     2.8209     1.0277	H	1	noname	0.0394
24	H13    -4.3527     3.7109    -0.5138	H	1	noname	0.0394
25	H14    -4.3527     1.9309    -0.5138	H	1	noname	0.0394
26	H15    -1.7358     2.7750    -1.9389	H	1	noname	0.0394
27	H16    -2.8344     4.1345    -1.6025	H	1	noname	0.0394
28	H17    -1.1865     4.1345    -0.9297	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	9	11	1
11	3	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	10	23	1
23	10	24	1
24	10	25	1
25	11	26	1
26	11	27	1
27	11	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1