RDKit 3D 50 53 0 0 0 0 0 0 0 0999 V2000 -4.5728 1.0779 2.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 1.4310 0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5669 1.8489 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 0.9816 -0.0402 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0926 0.9858 -1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -0.2911 -2.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -0.4595 -3.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 -1.4199 -1.6896 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0807 -1.6887 -2.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -1.0058 -0.3493 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1574 -1.9934 0.3044 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 -3.1151 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 0.1703 -0.5653 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7716 -0.0744 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 -0.4528 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 -0.6910 1.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3712 -0.5642 0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1724 -0.1892 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 0.0507 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4347 -0.1372 -1.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 -0.1054 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 -0.7325 1.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2488 1.2896 0.1795 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1470 2.6543 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7153 -0.4749 0.4452 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8889 -1.0642 0.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5992 0.7749 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 1.0842 2.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 1.4063 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 2.8885 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1294 1.7858 1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1703 1.3011 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5234 1.7608 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 -2.2930 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4514 -2.3831 -3.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 -3.6422 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 -2.8926 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 -3.8363 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 0.4654 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 -0.5574 1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4226 -0.9847 2.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 0.3431 -1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 0.9625 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3478 -0.6401 -0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 1.2042 1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 3.3931 0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 2.8308 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 2.8063 -1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 -0.4873 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -1.3210 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 12 11 1 0 10 11 1 1 10 25 1 0 25 26 1 0 25 4 1 0 4 3 1 1 3 2 1 0 2 1 2 3 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 4 23 1 0 23 24 1 0 23 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 22 1 0 22 21 1 0 21 20 1 0 20 18 1 0 18 19 2 0 8 10 1 0 19 14 1 0 13 10 1 0 18 17 1 0 12 36 1 0 12 37 1 0 12 38 1 0 25 49 1 1 26 50 1 0 3 30 1 0 3 31 1 0 2 29 1 0 1 27 1 0 1 28 1 0 5 32 1 0 5 33 1 0 8 34 1 1 9 35 1 0 23 45 1 1 24 46 1 0 24 47 1 0 24 48 1 0 13 39 1 6 15 40 1 0 16 41 1 0 21 43 1 0 21 44 1 0 19 42 1 0 M END