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6lu7cov_rescinnamine_0
OpenBabel03012017023D
47 52 0 0 0 0 0 0 0 0999 V2000
-8.5160 20.2400 67.2070 C 0 0 0 0 0
-7.9520 20.4770 66.6540 C 0 0 0 0 0
-8.4390 18.0710 66.9740 C 0 0 0 0 0
-9.2420 19.2010 67.8680 C 0 0 0 0 0
-9.9680 18.1630 68.5280 C 0 0 0 0 0
-9.4050 18.4000 67.9750 C 0 0 0 0 0
-9.0030 17.8350 67.5280 C 0 0 0 0 0
-8.2770 18.8730 66.8670 C 0 0 0 0 0
-8.6780 19.4380 67.3140 N 0 0 0 0 0
-7.7120 19.1100 66.3130 C 0 0 0 0 0
-7.5510 19.9120 66.2070 C 0 0 0 0 0
-7.2330 18.6810 65.7970 N 0 0 0 0 0
-6.7740 19.2180 65.3710 C 0 0 0 0 0
-6.9700 19.9790 65.6240 C 0 0 0 0 0
-6.2030 19.1140 64.7850 C 0 0 0 0 0
-6.5960 20.6340 65.2920 C 0 0 0 0 0
-6.0240 20.5300 64.7060 C 0 0 0 0 0
-5.8280 19.7690 64.4520 C 0 0 0 0 0
-5.2180 19.6620 63.8280 O 0 0 0 0 0
-4.9170 20.3870 63.5750 C 0 0 0 0 0
-9.1650 17.0330 67.6340 C 0 0 0 0 0
-8.2000 16.7040 66.6330 O 0 0 0 0 0
-8.7630 16.4680 67.1870 C 0 0 0 0 0
-8.9260 15.6660 67.2940 O 0 0 0 0 0
-8.5250 15.1010 66.8470 C 0 0 0 0 0
-10.1310 17.3620 68.6350 C 0 0 0 0 0
-9.7290 16.7960 68.1880 C 0 0 0 0 0
-9.8910 15.9950 68.2940 O 0 0 0 0 0
-9.4900 15.4290 67.8470 C 0 0 0 0 0
-10.6940 17.1250 69.1890 O 0 0 0 0 0
-10.4550 15.7580 68.8490 O 0 0 0 0 0
-10.8570 16.3230 69.2960 C 0 0 0 0 0
-11.4200 16.0860 69.8490 C 0 0 0 0 0
-11.5830 15.2850 69.9560 C 0 0 0 0 0
-12.1470 15.0480 70.5100 C 0 0 0 0 0
-12.5490 15.6140 70.9570 C 0 0 0 0 0
-12.3090 14.2460 70.6170 C 0 0 0 0 0
-13.2750 14.5750 71.6180 C 0 0 0 0 0
-13.1130 15.3760 71.5110 C 0 0 0 0 0
-12.8730 14.0090 71.1700 C 0 0 0 0 0
-13.8390 14.3380 72.1720 O 0 0 0 0 0
-14.0010 13.5370 72.2780 C 0 0 0 0 0
-13.5140 15.9420 71.9580 O 0 0 0 0 0
-14.0780 15.7060 72.5120 C 0 0 0 0 0
-13.0360 13.2080 71.2770 O 0 0 0 0 0
-12.6340 12.6420 70.8300 C 0 0 0 0 0
-7.2120 17.7020 65.7050 H 0 0 0 0 0
2 1 2 0 0 0
1 9 1 0 0 0
11 2 1 0 0 0
8 3 1 0 0 0
3 7 2 0 0 0
9 4 1 0 0 0
4 6 2 0 0 0
6 5 1 0 0 0
5 26 2 0 0 0
7 6 1 0 0 0
7 21 1 0 0 0
10 8 2 0 0 0
8 9 1 0 0 0
12 10 1 0 0 0
11 10 1 0 0 0
14 11 2 0 0 0
13 12 2 0 0 0
47 12 1 0 0 0
15 13 1 0 0 0
13 14 1 0 0 0
16 14 1 0 0 0
18 15 2 0 0 0
17 16 2 0 0 0
18 17 1 0 0 0
19 18 1 0 0 0
20 19 1 0 0 0
23 21 1 0 0 0
21 27 2 0 0 0
22 23 2 0 0 0
25 24 1 0 0 0
24 29 1 0 0 0
27 26 1 0 0 0
26 30 1 0 0 0
27 28 1 0 0 0
29 28 1 0 0 0
30 32 1 0 0 0
31 32 2 0 0 0
32 33 1 0 0 0
33 34 2 0 0 0
34 35 1 0 0 0
35 37 2 0 0 0
35 36 1 0 0 0
36 39 2 0 0 0
37 40 1 0 0 0
40 38 2 0 0 0
39 38 1 0 0 0
38 41 1 0 0 0
39 43 1 0 0 0
40 45 1 0 0 0
41 42 1 0 0 0
43 44 1 0 0 0
46 45 1 0 0 0
M RAD 19 1 2 2 2 3 2 4 2 5 2 15 2 16 2 17 2 20 4 23 2 25 4 29 3 33 2 34 2 36 2 37 2 42 4 44 4 46 4
M END
> <Vina Binding Affinity>
-14.3
$$$$
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