BQR45E -OEChem-04022104023D 36 39 0 0 0 0 0 0 0999 V2000 0.6224 0.3561 -0.8532 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 1.0266 1.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 1.9205 -0.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6963 -0.3046 -0.9781 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 1.5539 -0.0223 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 2.2947 0.2621 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7224 1.6199 0.6291 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 1.0328 -0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 1.7408 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8434 -0.6712 -0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2968 0.5061 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 1.5202 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5032 -1.8943 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -0.5910 -0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 0.4803 1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7095 0.4944 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0056 -0.3770 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6761 -1.9016 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1562 -0.7366 1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -1.8792 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8951 -1.4512 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 -2.9533 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 -2.7394 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 0.9531 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 2.8189 -1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 1.4447 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0994 -0.9171 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1287 -2.7971 -0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8581 1.3800 1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2239 -2.8324 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0707 -0.7739 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 -2.0798 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9578 -1.3010 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 -3.9567 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 -3.5758 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 1.9238 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 24 1 0 0 0 0 2 36 1 0 0 0 0 3 24 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$