@<TRIPOS>MOLECULE
91669166
16 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.3809    -2.6889     0.2198	S.2	1	noname	-0.0807
2	N1    -1.7549     1.6100     0.0975	N.3	1	noname	0.0841
3	N2     1.3874     0.0019     0.0238	N.3	1	noname	-0.0219
4	N3     0.6585     2.1150    -0.0181	N.2	1	noname	-0.2209
5	N4    -2.2047    -0.7202     0.1189	N.2	1	noname	-0.2027
6	N5    -3.9847     0.8411     0.0631	N.3	1	noname	-0.1354
7	C1     0.0541     0.0003     0.1225	C.2	1	noname	-0.0488
8	C2    -0.4214     1.3150     0.0933	C.2	1	noname	0.0539
9	C3    -0.8799    -1.0653     0.1505	C.2	1	noname	0.0858
10	C4    -2.6699     0.5843     0.0926	C.2	1	noname	-0.0581
11	C5     1.7351     1.3029    -0.0766	C.2	1	noname	-0.0297
12	H1    -2.0529     2.5331     0.1038	H	1	noname	0.0679
13	H2     1.9786    -0.7671     0.0242	H	1	noname	0.1538
14	H3     2.6947     1.6319    -0.1836	H	1	noname	0.1013
15	H4    -4.4774     0.0055     0.0642	H	1	noname	0.1257
16	H5    -4.2300     1.3621     0.8437	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	9	2
2	2	8	1
3	2	10	1
4	2	12	1
5	3	7	1
6	3	11	1
7	3	13	1
8	4	8	1
9	4	11	2
10	5	9	1
11	5	10	2
12	6	10	1
13	6	15	1
14	6	16	1
15	7	8	2
16	7	9	1
17	11	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1