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Copy path26R.mol2
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26R.mol2
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@<TRIPOS>MOLECULE
26R
55 56 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C14 7.5430 -0.8450 1.9910 c3 1 26R -0.084100
2 C13 7.5070 -0.1240 0.6440 c3 1 26R -0.016400
3 C15 8.3720 -0.8530 -0.3850 c3 1 26R -0.084100
4 C10 6.0950 0.0570 0.1380 ca 1 26R -0.072300
5 C9 5.2440 -1.0340 -0.0400 ca 1 26R -0.106000
6 C8 3.9540 -0.8660 -0.5160 ca 1 26R -0.106500
7 C11 5.6040 1.3180 -0.1830 ca 1 26R -0.106000
8 C12 4.3110 1.4880 -0.6620 ca 1 26R -0.106500
9 C7 3.4630 0.4000 -0.8360 ca 1 26R -0.084300
10 C6 2.0520 0.5720 -1.3270 c3 1 26R -0.020100
11 C4 1.0250 0.4680 -0.1930 c3 1 26R -0.136700
12 C5 1.1970 1.5720 0.8530 c3 1 26R -0.088100
13 C2 -0.3870 0.5460 -0.7430 c 1 26R 0.609100
14 O3 -0.7020 1.3160 -1.6330 o 1 26R -0.574100
15 N1 -1.2700 -0.2930 -0.1460 ns 1 26R -0.505900
16 C1 -2.6760 -0.2460 -0.3720 c6 1 26R 0.299700
17 O5 -3.2530 0.6270 0.5700 os 1 26R -0.462000
18 C18 -4.6370 0.8300 0.3750 c6 1 26R 0.179300
19 C16 -5.0990 1.8690 1.3750 c3 1 26R 0.172600
20 O6 -4.4280 3.0790 1.1140 oh 1 26R -0.706000
21 C17 -5.3800 -0.4960 0.5470 c6 1 26R 0.143300
22 O4 -6.7430 -0.2710 0.2890 oh 1 26R -0.715000
23 C3 -4.8000 -1.5340 -0.4080 c6 1 26R 0.140300
24 O1 -5.4510 -2.7540 -0.1540 oh 1 26R -0.666000
25 C19 -3.2910 -1.6410 -0.2340 c6 1 26R 0.099300
26 O2 -2.8140 -2.5180 -1.2220 oh 1 26R -0.716000
27 H1 7.1710 -1.8680 1.9050 hc 1 26R 0.034867
28 H2 8.5650 -0.9000 2.3690 hc 1 26R 0.034867
29 H3 6.9370 -0.3300 2.7370 hc 1 26R 0.034867
30 H4 7.9330 0.8740 0.7900 hc 1 26R 0.048700
31 H5 7.9960 -1.8610 -0.5740 hc 1 26R 0.034867
32 H6 8.3930 -0.3210 -1.3360 hc 1 26R 0.034867
33 H7 9.4000 -0.9450 -0.0300 hc 1 26R 0.034867
34 H8 5.5900 -2.0350 0.1950 ha 1 26R 0.111000
35 H9 3.3180 -1.7350 -0.6440 ha 1 26R 0.110000
36 H10 6.2420 2.1860 -0.0580 ha 1 26R 0.111000
37 H11 3.9580 2.4840 -0.9040 ha 1 26R 0.110000
38 H12 1.9480 1.5400 -1.8220 hc 1 26R 0.062200
39 H13 1.8340 -0.1930 -2.0770 hc 1 26R 0.062200
40 H14 1.1560 -0.4980 0.3050 hc 1 26R 0.049700
41 H15 1.1270 2.5600 0.3950 hc 1 26R 0.046700
42 H16 0.4390 1.5030 1.6340 hc 1 26R 0.046700
43 H17 2.1730 1.4940 1.3310 hc 1 26R 0.046700
44 H18 -0.9420 -0.8340 0.6410 hn 1 26R 0.308500
45 H19 -2.8490 0.1220 -1.3920 h2 1 26R 0.088700
46 H20 -4.8220 1.2040 -0.6460 h1 1 26R 0.067700
47 H21 -6.1840 1.9790 1.2830 h1 1 26R 0.034200
48 H22 -4.8950 1.5000 2.3900 h1 1 26R 0.034200
49 H23 -4.7740 3.7440 1.7160 ho 1 26R 0.502000
50 H24 -5.2240 -0.8480 1.5800 h1 1 26R 0.050700
51 H25 -7.2170 -1.0970 0.4300 ho 1 26R 0.525000
52 H26 -4.9970 -1.1900 -1.4360 h1 1 26R 0.058700
53 H27 -5.2000 -3.3840 -0.8380 ho 1 26R 0.466000
54 H28 -3.0770 -2.0180 0.7780 h1 1 26R 0.049700
55 H29 -1.9000 -2.7440 -1.0270 ho 1 26R 0.516000
@<TRIPOS>BOND
1 1 2 1
2 1 27 1
3 1 28 1
4 1 29 1
5 2 3 1
6 2 4 1
7 2 30 1
8 3 31 1
9 3 32 1
10 3 33 1
11 4 5 ar
12 4 7 ar
13 5 6 ar
14 5 34 1
15 6 9 ar
16 6 35 1
17 7 8 ar
18 7 36 1
19 8 9 ar
20 8 37 1
21 9 10 1
22 10 11 1
23 10 38 1
24 10 39 1
25 11 12 1
26 11 13 1
27 11 40 1
28 12 41 1
29 12 42 1
30 12 43 1
31 13 14 2
32 13 15 1
33 15 16 1
34 15 44 1
35 16 17 1
36 16 25 1
37 16 45 1
38 17 18 1
39 18 19 1
40 18 21 1
41 18 46 1
42 19 20 1
43 19 47 1
44 19 48 1
45 20 49 1
46 21 22 1
47 21 23 1
48 21 50 1
49 22 51 1
50 23 24 1
51 23 25 1
52 23 52 1
53 24 53 1
54 25 26 1
55 25 54 1
56 26 55 1
@<TRIPOS>SUBSTRUCTURE
1 26R 1 TEMP 0 **** **** 0 ROOT