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Copy path26F.mol2
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26F.mol2
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@<TRIPOS>MOLECULE
26F
70 73 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C1 -4.1760 -0.6800 0.5070 ca 1 26F -0.056500
2 C2 -5.0250 0.5380 2.3740 ca 1 26F -0.056500
3 C3 -5.4440 -0.7440 -0.0360 ca 1 26F -0.175000
4 C4 -6.3120 0.4820 1.8440 ca 1 26F -0.175000
5 C5 -0.3310 -4.7310 -0.3270 ca 1 26F -0.119500
6 C6 2.0550 -4.3790 -0.5220 ca 1 26F -0.119500
7 C7 -0.5570 -3.4390 -0.7770 ca 1 26F 0.005500
8 C8 1.8270 -3.0930 -0.9790 ca 1 26F 0.005500
9 C9 3.1850 4.2110 -0.6810 ca 1 26F -0.352000
10 C10 -3.9450 -0.0400 1.7260 ca 1 26F -0.160300
11 C11 -6.5270 -0.1630 0.6310 ca 1 26F 0.146100
12 C12 0.9710 -5.1830 -0.2070 ca 1 26F 0.142100
13 C13 0.5230 -2.6360 -1.0990 ca 1 26F -0.230500
14 C14 2.3500 3.5040 0.1940 ca 1 26F 0.424900
15 C15 2.9610 5.5770 -0.7590 ca 1 26F 0.410300
16 C16 1.3000 5.4360 0.7290 ca 1 26F 0.425300
17 C17 -0.4790 -0.0540 1.0220 c 1 26F 0.600100
18 C18 3.1970 1.2960 -0.4970 c6 1 26F 0.206800
19 C19 2.2490 0.7110 -1.5270 c6 1 26F 0.178800
20 C20 1.4670 1.4270 1.1240 c6 1 26F 0.212800
21 C21 0.4430 0.8020 0.1610 c6 1 26F 0.104500
22 C22 -8.8510 0.3100 0.6560 c3 1 26F 0.147900
23 C23 3.5160 7.6850 -1.6740 c3 1 26F 0.161900
24 C24 0.1470 7.4020 1.3480 c3 1 26F 0.165900
25 C25 -2.5660 0.0120 2.3270 c3 1 26F 0.153300
26 C26 1.2620 -7.4710 -0.5760 c3 1 26F 0.517000
27 N27 1.4000 4.1340 0.8940 nb 1 26F -0.303000
28 N28 2.0250 6.2050 -0.0630 nb 1 26F -0.369000
29 N29 2.4750 2.1640 0.4060 nh 1 26F -0.755300
30 N30 1.1580 0.0050 -0.8390 n3 1 26F -0.739500
31 N31 -1.5920 0.5760 1.4190 ns 1 26F -0.481900
32 O32 -0.1490 -1.1740 1.3730 o 1 26F -0.602100
33 O33 0.8100 -1.0320 -3.1140 o 1 26F -0.544000
34 O34 -1.1680 -0.6960 -1.6070 o 1 26F -0.544000
35 O35 -7.7270 -0.2750 0.0290 os 1 26F -0.340100
36 O37 3.7300 6.2800 -1.5780 os 1 26F -0.454300
37 O38 0.3430 5.9970 1.4570 os 1 26F -0.438300
38 F39 2.2360 -7.3200 -1.4740 f 1 26F -0.106667
39 F40 1.4940 -8.5750 0.1130 f 1 26F -0.106667
40 F41 0.1280 -7.6290 -1.2590 f 1 26F -0.106667
41 S42 0.2410 -1.0220 -1.7740 sy 1 26F 1.154600
42 H1 -3.3510 -1.1310 -0.0310 ha 1 26F 0.121500
43 H2 -4.8730 1.0510 3.3160 ha 1 26F 0.121500
44 H3 -5.6090 -1.2460 -0.9810 ha 1 26F 0.123500
45 H4 -7.1210 0.9500 2.3880 ha 1 26F 0.123500
46 H5 -1.1650 -5.3640 -0.0560 ha 1 26F 0.137500
47 H6 3.0660 -4.7420 -0.4000 ha 1 26F 0.137500
48 H7 -1.5710 -3.0760 -0.8640 ha 1 26F 0.134500
49 H8 2.6710 -2.4610 -1.2200 ha 1 26F 0.134500
50 H9 3.9680 3.7560 -1.2660 ha 1 26F 0.147000
51 H18 3.6530 0.4940 0.0870 h1 1 26F 0.071700
52 H18A 4.0040 1.8160 -1.0040 h1 1 26F 0.071700
53 H19 1.8630 1.5110 -2.1660 h1 1 26F 0.067700
54 H19A 2.8000 0.0140 -2.1530 h1 1 26F 0.067700
55 H20 0.9510 2.0760 1.8260 h1 1 26F 0.089700
56 H20A 1.9590 0.6300 1.6880 h1 1 26F 0.089700
57 H21 -0.1160 1.6120 -0.3230 h1 1 26F 0.068700
58 H22 -8.7430 1.3940 0.7590 h1 1 26F 0.040700
59 H22A -9.7050 0.1030 0.0170 h1 1 26F 0.040700
60 H22B -9.0380 -0.1190 1.6440 h1 1 26F 0.040700
61 H23 3.6870 8.1850 -0.7210 h1 1 26F 0.049367
62 H23A 4.2370 8.0420 -2.4050 h1 1 26F 0.049367
63 H23B 2.5080 7.9170 -2.0170 h1 1 26F 0.049367
64 H24 -0.1210 7.6950 0.3330 h1 1 26F 0.049033
65 H24A -0.6730 7.6380 2.0210 h1 1 26F 0.049033
66 H24B 1.0340 7.9580 1.6500 h1 1 26F 0.049033
67 H25 -2.5890 0.5960 3.2500 h1 1 26F 0.063200
68 H25A -2.2260 -0.9890 2.5930 h1 1 26F 0.063200
69 HN31 -1.7970 1.4860 1.0350 hn 1 26F 0.326500
70 O36 1.2020 -6.4540 0.2960 os 1 26F -0.407100
@<TRIPOS>BOND
1 1 3 ar
2 1 10 ar
3 1 42 1
4 2 4 ar
5 2 10 ar
6 2 43 1
7 3 11 ar
8 3 44 1
9 4 11 ar
10 4 45 1
11 5 7 ar
12 5 12 ar
13 5 46 1
14 6 8 ar
15 6 12 ar
16 6 47 1
17 7 13 ar
18 7 48 1
19 8 13 ar
20 8 49 1
21 9 14 ar
22 9 15 ar
23 9 50 1
24 10 25 1
25 11 35 1
26 12 70 1
27 13 41 1
28 14 27 ar
29 14 29 1
30 15 28 ar
31 15 36 1
32 16 27 ar
33 16 28 ar
34 16 37 1
35 17 21 1
36 17 31 1
37 17 32 2
38 18 19 1
39 18 29 1
40 18 51 1
41 18 52 1
42 19 30 1
43 19 53 1
44 19 54 1
45 20 21 1
46 20 29 1
47 20 55 1
48 20 56 1
49 21 30 1
50 21 57 1
51 22 35 1
52 22 58 1
53 22 59 1
54 22 60 1
55 23 36 1
56 23 61 1
57 23 62 1
58 23 63 1
59 24 37 1
60 24 64 1
61 24 65 1
62 24 66 1
63 25 31 1
64 25 67 1
65 25 68 1
66 26 38 1
67 26 39 1
68 26 40 1
69 26 70 1
70 30 41 1
71 31 69 1
72 33 41 2
73 34 41 2
@<TRIPOS>SUBSTRUCTURE
1 26F 1 TEMP 0 **** **** 0 ROOT