@<TRIPOS>MOLECULE
87420979
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.7180     0.2369     0.2398	N.3	1	noname	0.0000
2	N2    -2.5958     2.4812    -0.2358	N.3	1	noname	0.0000
3	C1     0.2734     0.0371     0.1374	C.3	1	noname	0.0000
4	C2     2.3813    -1.0595     0.3698	C.3	1	noname	0.0000
5	C3     2.2028     0.9139    -0.9619	C.3	1	noname	0.0000
6	C4     2.0148     1.0560     1.4139	C.3	1	noname	0.0000
7	C5    -0.4207     1.3938     0.0014	C.3	1	noname	0.0000
8	C6     2.0707    -1.9168    -0.8588	C.3	1	noname	0.0000
9	C7    -1.9325     1.1848    -0.1058	C.3	1	noname	0.0000
10	H1    -0.0880    -0.4676     1.0334	H	1	noname	0.0000
11	H2     0.0522    -0.5736    -0.7379	H	1	noname	0.0000
12	H3     2.0199    -1.5643     1.2658	H	1	noname	0.0000
13	H4     3.4583    -0.9106     0.4462	H	1	noname	0.0000
14	H5     3.2799     1.0628    -0.8856	H	1	noname	0.0000
15	H6     1.7083     1.8804    -1.0588	H	1	noname	0.0000
16	H7     1.9816     0.3032    -1.8372	H	1	noname	0.0000
17	H8     3.0918     1.2049     1.4902	H	1	noname	0.0000
18	H9     1.5203     2.0226     1.3169	H	1	noname	0.0000
19	H10     1.6534     0.5513     2.3098	H	1	noname	0.0000
20	H11    -0.1995     2.0046     0.8767	H	1	noname	0.0000
21	H12    -0.0593     1.8986    -0.8946	H	1	noname	0.0000
22	H13     2.5652    -2.8833    -0.7619	H	1	noname	0.0000
23	H14     0.9937    -2.0657    -0.9351	H	1	noname	0.0000
24	H15     2.4321    -1.4120    -1.7548	H	1	noname	0.0000
25	H16    -2.2939     0.6800     0.7902	H	1	noname	0.0000
26	H17    -2.1538     0.5741    -0.9811	H	1	noname	0.0000
27	H18    -3.6056     2.3416    -0.3074	H	1	noname	0.0000
28	H19    -2.3883     3.0538     0.5849	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	3	1
2	1	4	1
3	1	5	1
4	1	6	1
5	2	9	1
6	2	27	1
7	2	28	1
8	3	7	1
9	3	10	1
10	3	11	1
11	4	8	1
12	4	12	1
13	4	13	1
14	5	14	1
15	5	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	6	19	1
20	7	9	1
21	7	20	1
22	7	21	1
23	8	22	1
24	8	23	1
25	8	24	1
26	9	25	1
27	9	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1