BA5RK3 -OEChem-04012113593D 40 40 0 0 0 0 0 0 0999 V2000 -6.5292 -0.2682 -0.0536 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5726 -0.9263 -1.3485 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6926 -1.0283 1.1744 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 1.3519 0.0434 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9343 0.4563 -0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6313 1.0451 -0.0572 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 -0.7250 0.0231 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 0.4963 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2701 -0.4516 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 -0.2812 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 0.2715 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0124 0.6256 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 -0.6446 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6146 0.1240 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -0.3636 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0636 -1.3536 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 0.9825 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4117 -0.9975 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7951 1.3384 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7775 0.3483 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 1.1926 -0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 1.0956 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -1.0654 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 -1.1410 0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8504 -0.9544 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7965 -0.9219 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 0.9530 -0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 0.9060 1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0526 1.2288 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9653 1.2959 -0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 -1.2871 0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 -1.2919 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5395 1.7143 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 -1.7262 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -2.4061 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7452 1.8045 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5274 1.2181 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1768 -1.7682 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 2.3862 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8272 0.6256 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 33 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$