BS1X3B -OEChem-04022103243D 45 47 0 0 0 0 0 0 0999 V2000 3.9637 1.8479 -0.4944 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -3.4183 0.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 1.6474 -1.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 2.8964 -0.8341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2234 1.9102 -1.8214 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6563 0.5023 -2.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8378 -3.0987 -0.0712 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5246 2.1058 1.1214 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3515 -0.3507 0.5585 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4469 -0.8276 0.1703 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 1.1558 -1.7301 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0345 -0.8778 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7362 -2.0653 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 0.3357 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 0.3456 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -1.2349 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 -2.6068 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1022 -2.0906 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7693 -0.8649 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1595 -4.5035 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 1.3398 1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5035 2.2143 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4957 0.0654 0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8794 1.0371 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 -0.0321 1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9238 1.9113 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2008 0.8424 1.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5846 1.8140 1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1952 1.2761 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 -3.0217 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8323 -0.8750 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 -4.7593 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2725 -5.1197 -0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 -4.6639 -1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1067 1.7673 2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 0.2912 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5153 1.4058 0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 1.2249 2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 2.7367 3.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 2.8031 1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2069 -2.8615 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 -0.7863 2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2343 2.6740 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 0.7664 2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3979 2.4947 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 41 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 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 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$