@<TRIPOS>MOLECULE
50333029
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1    -7.1700     2.3603     0.6762	F	1	noname	-0.1624
2	C1    -6.0948     3.0624     0.4673	C.2	1	noname	0.0442
3	C2    -6.1847     4.4402     0.3071	C.2	1	noname	0.0376
4	C3    -4.8562     2.4347     0.4044	C.2	1	noname	0.0089
5	C4    -5.0359     5.1904     0.0839	C.2	1	noname	0.0442
6	C5    -3.7074     3.1849     0.1812	C.2	1	noname	0.0092
7	F2    -5.1201     6.4799    -0.0660	F	1	noname	-0.1624
8	C6    -3.7973     4.5627     0.0210	C.2	1	noname	0.0089
9	C7    -2.5561     2.6015     0.1227	C.1	1	noname	-0.0144
10	C8    -1.4922     2.0623     0.0686	C.1	1	noname	0.0148
11	C9    -0.3409     1.4789     0.0101	C.2	1	noname	0.0596
12	N1     0.8662     2.0645    -0.1386	N.2	1	noname	-0.3014
13	C10    -0.0828     0.1157     0.0870	C.2	1	noname	0.0198
14	N2     1.8290     1.1874    -0.1921	N.3	1	noname	-0.0276
15	C11     1.3054    -0.0392    -0.0376	C.2	1	noname	-0.0524
16	C12    -0.9450    -0.9700     0.4252	C.2	1	noname	-0.0221
17	C13     1.9569    -1.2942     0.1747	C.2	1	noname	-0.0338
18	C14    -0.3093    -2.2270     0.6773	C.2	1	noname	-0.0506
19	C15     1.1139    -2.3854     0.5578	C.2	1	noname	-0.0490
20	H1    -7.1560     4.9324     0.3565	H	1	noname	0.0684
21	H2    -4.7857     1.3543     0.5300	H	1	noname	0.0666
22	H3    -2.8965     5.1510    -0.1540	H	1	noname	0.0666
23	H4     2.8032     1.4165    -0.3283	H	1	noname	0.1755
24	H5    -2.0262    -0.8464     0.4873	H	1	noname	0.0630
25	H6     3.0334    -1.4123     0.0518	H	1	noname	0.0643
26	H7    -0.9216    -3.0812     0.9662	H	1	noname	0.0622
27	H8     1.5649    -3.3564     0.7626	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	9	1
9	6	8	1
10	9	10	3
11	10	11	1
12	11	12	2
13	11	13	1
14	12	14	1
15	13	15	2
16	13	16	1
17	14	15	1
18	15	17	1
19	16	18	2
20	17	19	2
21	18	19	1
22	3	20	1
23	4	21	1
24	8	22	1
25	14	23	1
26	16	24	1
27	17	25	1
28	18	26	1
29	19	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1