BD2B3P -OEChem-04042104143D 45 47 0 0 0 0 0 0 0999 V2000 8.5725 1.9744 1.2686 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 0.5106 -1.4211 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0785 2.1339 0.0699 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9864 -0.3759 0.7798 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 -1.3483 -0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -2.5121 0.0236 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3944 -0.2067 -1.0931 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3842 -0.9635 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 -0.1524 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -0.5283 -0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1689 -1.0240 -1.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 -2.1010 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0771 -2.8637 0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5775 1.1604 0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8153 -0.6970 -0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 -0.5013 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0249 -4.1532 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 1.9287 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9794 0.0712 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9425 1.3841 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5968 0.3000 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 0.5395 -1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 0.5599 0.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 1.0386 -0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8694 1.0590 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 1.2984 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9693 3.4684 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5422 -1.9289 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 -0.2614 -2.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1631 -2.4748 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 1.5990 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8641 -1.7161 -0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7993 -4.9784 0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2335 -4.0869 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9728 -4.3611 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 2.9402 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9117 -0.3577 -0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 -0.3689 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 0.3414 -2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8793 0.4003 1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 1.2197 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9225 1.2565 2.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9658 3.9180 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3058 4.0755 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6756 3.4846 1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 10 2 0 0 0 0 3 20 1 0 0 0 0 3 27 1 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 13 2 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 2 0 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$