@<TRIPOS>MOLECULE
58165301
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.4040     0.3520    -1.5562	S.3	1	noname	-0.1290
2	N1     0.5761     0.3805     0.8615	N.2	1	noname	-0.2666
3	C1     1.2536    -0.3662    -0.1072	C.3	1	noname	0.0953
4	C2     2.7281     0.0417    -0.1266	C.3	1	noname	-0.0240
5	C3    -0.7429     1.5271    -0.7424	C.3	1	noname	0.0333
6	C4    -0.3437     1.2563     0.6181	C.2	1	noname	0.0080
7	C5     3.4396    -0.5598     1.0870	C.3	1	noname	-0.0625
8	C6    -0.9662     1.9572     1.6980	C.3	1	noname	-0.0258
9	H1     1.0946    -1.4334     0.0470	H	1	noname	0.0668
10	H2     2.8049     1.1285    -0.0911	H	1	noname	0.0294
11	H3     3.1948    -0.3258    -1.0405	H	1	noname	0.0294
12	H4    -1.7702     1.1951    -0.8926	H	1	noname	0.0443
13	H5    -0.6168     2.5850    -0.9728	H	1	noname	0.0443
14	H6     4.4901    -0.2692     1.0732	H	1	noname	0.0231
15	H7     2.9729    -0.1922     2.0009	H	1	noname	0.0231
16	H8     3.3628    -1.6465     1.0515	H	1	noname	0.0231
17	H9    -2.0374     1.7558     1.6924	H	1	noname	0.0292
18	H10    -0.7972     3.0277     1.5817	H	1	noname	0.0292
19	H11    -0.5385     1.6224     2.6430	H	1	noname	0.0292
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	2	3	1
4	2	6	2
5	3	4	1
6	3	9	1
7	4	7	1
8	4	10	1
9	4	11	1
10	5	6	1
11	5	12	1
12	5	13	1
13	6	8	1
14	7	14	1
15	7	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	8	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1