@<TRIPOS>MOLECULE
29317
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.0084    -0.0125    -0.0000	S.3	1	noname	-0.1450
2	C1     1.7751    -0.0083    -0.0000	C.2	1	noname	0.0973
3	C2    -0.3862     1.7139     0.0000	C.2	1	noname	0.1298
4	S2     2.9264    -1.2996    -0.0000	S.3	1	noname	-0.0392
5	N1     1.9332     1.3386     0.0000	N.2	1	noname	-0.1394
6	N2     0.8965     2.1625     0.0000	N.2	1	noname	-0.1611
7	N3    -1.5591     2.3620     0.0000	N.3	1	noname	-0.0798
8	C3     4.5924    -0.6180    -0.0000	C.3	1	noname	0.0255
9	C4     5.5640    -1.7077    -0.0000	C.2	1	noname	-0.0529
10	C5     6.9250    -1.4253    -0.0000	C.2	1	noname	-0.0378
11	C6     5.1281    -3.0276    -0.0000	C.2	1	noname	-0.0378
12	C7     7.8501    -2.4628    -0.0000	C.2	1	noname	-0.0065
13	C8     6.0531    -4.0651    -0.0000	C.2	1	noname	-0.0065
14	C9     7.4141    -3.7827    -0.0000	C.2	1	noname	0.0230
15	F1     8.2800    -4.7537    -0.0000	F	1	noname	-0.1655
16	H1    -1.5781     3.3718     0.0000	H	1	noname	0.1266
17	H2    -2.4241     1.8406     0.0000	H	1	noname	0.1266
18	H3     4.7913    -0.1106    -0.9440	H	1	noname	0.0434
19	H4     4.7913    -0.1106     0.9440	H	1	noname	0.0434
20	H5     7.2669    -0.3903    -0.0000	H	1	noname	0.0626
21	H6     4.0608    -3.2490    -0.0000	H	1	noname	0.0626
22	H7     8.9174    -2.2414    -0.0000	H	1	noname	0.0653
23	H8     5.7113    -5.1001    -0.0000	H	1	noname	0.0653
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	1
8	5	6	1
9	8	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	12	14	2
15	13	14	1
16	14	15	1
17	7	16	1
18	7	17	1
19	8	18	1
20	8	19	1
21	10	20	1
22	11	21	1
23	12	22	1
24	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1