@<TRIPOS>MOLECULE
DB07412
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.6550    -1.1254     0.0000	N.3	1	noname	-0.3264
2	C1     2.1895    -1.1376     0.0000	C.3	1	noname	0.0185
3	C2     1.2229     0.0014     0.0000	C.2	1	noname	-0.0354
4	C3     1.2955     1.4809    -0.0000	C.2	1	noname	-0.0323
5	C4    -0.0217    -0.7006     0.0000	C.2	1	noname	-0.0489
6	C5     2.5036     2.3432    -0.0000	C.2	1	noname	-0.0406
7	C6     0.0147     2.1596    -0.0000	C.2	1	noname	-0.0458
8	C7    -1.2271     0.0410     0.0000	C.2	1	noname	-0.0588
9	C8     2.5117     3.8044    -0.0000	C.2	1	noname	-0.0468
10	C9     3.7944     1.7182    -0.0000	C.2	1	noname	-0.0468
11	C10    -1.2202     1.4567     0.0000	C.2	1	noname	-0.0570
12	C11     3.7147     4.5883    -0.0000	C.2	1	noname	-0.0574
13	C12     5.0300     2.4340    -0.0000	C.2	1	noname	-0.0574
14	C13     4.9523     3.8655    -0.0000	C.2	1	noname	-0.0598
15	H1     4.1672    -1.9959    -0.0000	H	1	noname	0.1187
16	H2     4.1527    -0.2466    -0.0000	H	1	noname	0.1187
17	H3     1.9728    -1.6377    -0.9440	H	1	noname	0.0476
18	H4     1.9728    -1.6377     0.9440	H	1	noname	0.0476
19	H5    -0.0512    -1.7902     0.0000	H	1	noname	0.0626
20	H6    -0.0215     3.2490    -0.0000	H	1	noname	0.0629
21	H7    -2.1797    -0.4888     0.0000	H	1	noname	0.0622
22	H8     1.5634     4.3420    -0.0000	H	1	noname	0.0629
23	H9     3.8393     0.6291    -0.0000	H	1	noname	0.0629
24	H10    -2.1629     2.0040     0.0000	H	1	noname	0.0622
25	H11     3.6897     5.6780    -0.0000	H	1	noname	0.0622
26	H12     5.9871     1.9124    -0.0000	H	1	noname	0.0622
27	H13     5.8823     4.4339    -0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	6	9	2
9	6	10	1
10	7	11	2
11	8	11	1
12	9	12	1
13	10	13	2
14	12	14	2
15	13	14	1
16	1	15	1
17	1	16	1
18	2	17	1
19	2	18	1
20	5	19	1
21	7	20	1
22	8	21	1
23	9	22	1
24	10	23	1
25	11	24	1
26	12	25	1
27	13	26	1
28	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1