BNA5E3 -OEChem-04022118223D 47 46 0 1 0 0 0 0 0999 V2000 1.4729 -2.6489 1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 0.3778 0.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8697 1.3148 -1.1146 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -1.3456 -1.1122 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4852 1.8545 0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7794 0.1265 0.8821 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2038 -0.3863 0.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 0.1234 -1.2424 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 0.4248 -0.0132 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2618 1.4941 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 -0.8777 -0.4865 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8559 -2.3782 -0.2857 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2099 0.8332 -1.1607 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8796 -0.0464 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -3.2212 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 0.6840 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2988 -0.1620 -0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 0.9865 0.9561 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5346 1.4857 -2.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4353 -0.3102 0.4855 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5957 2.0183 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1308 -0.9062 1.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6799 0.5590 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 -0.7022 -1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -2.6916 -0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 1.6036 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 -0.7984 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -0.3384 -2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -4.2870 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -3.0350 -1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8995 -3.0268 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3719 0.0671 1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 0.7378 -3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 2.1833 -2.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 2.0390 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6525 -1.1149 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 1.4108 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -3.6004 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 2.9522 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3679 2.2507 2.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 1.6447 2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -0.1207 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9783 -1.4905 2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 -1.5649 1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6365 0.7652 -0.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9992 1.7140 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 2.3766 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 38 1 0 0 0 0 2 14 2 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 23 1 0 0 0 0 5 47 1 0 0 0 0 6 23 2 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 27 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 28 1 0 0 0 0 9 17 1 0 0 0 0 9 20 1 0 0 0 0 9 37 1 0 0 0 0 10 18 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 26 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$