@<TRIPOS>MOLECULE
DB03694
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.9848    -1.9056    -0.7907	S.2	1	noname	-0.1124
2	C1    -1.7513    -0.8018    -0.4030	C.2	1	noname	-0.0193
3	N1    -0.7296    -1.1888     0.3199	N.3	1	noname	-0.1738
4	N2    -1.8225     0.4356    -0.8270	N.3	1	noname	-0.1218
5	C2     0.1084    -0.1581     0.4966	C.2	1	noname	-0.0233
6	C3     1.1346     0.0672    -0.4135	C.2	1	noname	-0.0388
7	C4    -0.0486     0.6856     1.5900	C.2	1	noname	-0.0388
8	C5     2.0038     1.1362    -0.2301	C.2	1	noname	-0.0550
9	C6     0.8206     1.7547     1.7733	C.2	1	noname	-0.0550
10	C7     1.8468     1.9800     0.8632	C.2	1	noname	-0.0643
11	H1    -0.6083    -2.1244     0.6803	H	1	noname	0.1360
12	H2    -0.9767     0.9628    -0.9905	H	1	noname	0.1260
13	H3    -2.7232     0.8624    -0.9905	H	1	noname	0.1260
14	H4     1.2577    -0.5945    -1.2709	H	1	noname	0.0639
15	H5    -0.8534     0.5090     2.3036	H	1	noname	0.0639
16	H6     2.8085     1.3129    -0.9438	H	1	noname	0.0623
17	H7     0.6975     2.4164     2.6307	H	1	noname	0.0623
18	H8     2.5284     2.8184     1.0070	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	3	11	1
12	4	12	1
13	4	13	1
14	6	14	1
15	7	15	1
16	8	16	1
17	9	17	1
18	10	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1