@<TRIPOS>MOLECULE
REAL300019630629
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1    -5.8279    -0.0158    -1.6884	C.3	1	noname	-0.0025
2	N1    -4.4182     0.1515    -1.3848	N.3	1	noname	-0.1159
3	C2    -3.9199    -0.0895    -0.1037	C.2	1	noname	0.1067
4	O1    -4.7113    -0.4153     0.8148	O.2	1	noname	-0.2745
5	C3    -2.5575    -0.0279     0.3128	C.2	1	noname	0.0449
6	C4    -1.5211    -0.6507    -0.4206	C.2	1	noname	0.0287
7	C5    -0.1882    -0.5908     0.0261	C.2	1	noname	0.0456
8	C6     0.1518     0.0654     1.2335	C.2	1	noname	0.0385
9	C7    -0.8869     0.6837     1.9662	C.2	1	noname	0.0456
10	C8    -2.2173     0.6404     1.5134	C.2	1	noname	0.0287
11	S1     1.9093     0.1040     1.8398	S.3	1	noname	-0.0725
12	F1     3.5601     0.1303     2.3992	F	1	noname	-0.0564
13	F2     1.4391    -0.2830     3.4632	F	1	noname	-0.0564
14	F3     2.5136     0.5033     0.2657	F	1	noname	-0.0564
15	F4     2.1123    -1.5870     1.5171	F	1	noname	-0.0564
16	F5     1.8257     1.7957     2.2079	F	1	noname	-0.0564
17	C9    -3.6235     0.5835    -2.4242	C.2	1	noname	0.0047
18	N2    -3.7603     0.2528    -3.7176	N.2	1	noname	-0.3446
19	N3    -2.8236     0.8635    -4.3640	N.3	1	noname	-0.0340
20	N4    -2.1162     1.5668    -3.5413	N.2	1	noname	-0.3282
21	N5    -2.5818     1.4253    -2.3457	N.2	1	noname	-0.2598
22	H1    -6.2095     0.8543    -2.2294	H	1	noname	0.0399
23	H2    -6.4625    -0.1256    -0.8073	H	1	noname	0.0399
24	H3    -5.9687    -0.9041    -2.3060	H	1	noname	0.0399
25	H4    -1.7251    -1.1598    -1.2847	H	1	noname	0.0630
26	H5     0.5348    -1.0372    -0.5424	H	1	noname	0.0625
27	H6    -0.6821     1.1768     2.8385	H	1	noname	0.0625
28	H7    -2.9401     1.1053     2.0719	H	1	noname	0.0630
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	3	5	1
5	5	6	2
6	6	7	1
7	7	8	2
8	8	9	1
9	9	10	2
10	5	10	1
11	8	11	1
12	11	12	1
13	11	13	1
14	11	14	1
15	11	15	1
16	11	16	1
17	2	17	1
18	17	18	2
19	18	19	1
20	19	20	1
21	20	21	2
22	17	21	1
23	1	22	1
24	1	23	1
25	1	24	1
26	6	25	1
27	7	26	1
28	9	27	1
29	10	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1