B5WRS4 -OEChem-04022106153D 32 33 0 0 0 0 0 0 0999 V2000 3.7764 2.2884 -0.1239 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 -0.0546 -0.0987 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 -1.1289 0.2962 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4832 -2.4494 -0.0532 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4302 0.1055 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 0.0997 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 0.1124 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 0.0408 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 1.2659 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 -1.2069 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1629 1.2308 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4067 -1.1932 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4937 1.2206 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 -0.1822 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7787 -1.2476 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8657 1.1663 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5081 -0.0678 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6969 0.9796 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -0.7636 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 0.9914 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 -0.7526 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 2.2328 0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 -2.1193 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0038 2.1880 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -0.7394 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 0.7906 -0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -0.7401 -1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2789 -2.2085 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4337 2.0850 0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5763 -0.1101 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -3.2899 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 -2.5809 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$