BX8BD7 -OEChem-04012115013D 44 47 0 0 0 0 0 0 0999 V2000 2.1871 1.5882 0.0246 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3939 -0.3316 -0.0089 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 0.9764 0.5463 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0006 -1.5258 0.5607 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1691 -2.5328 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0814 4.8061 0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2959 0.6765 0.0539 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 -0.3197 0.0683 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 -0.8937 0.0481 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7006 -0.3071 -1.6892 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 4.0483 0.0582 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4439 0.4077 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 -0.8683 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 0.3348 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3655 0.3286 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6576 -0.5323 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2105 1.7277 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8351 0.5973 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8509 1.9225 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -0.4094 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 -1.9928 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1126 -1.8114 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5217 -0.2551 -0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8829 -1.2771 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1972 2.7661 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7203 -0.9682 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0815 -1.9904 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0002 -1.8359 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0631 -2.3284 -0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 1.6014 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 2.8393 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -2.9965 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7476 -2.6934 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3186 0.4121 -1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -1.4081 1.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2572 2.4578 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3882 -0.8021 -1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2944 -2.6643 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9751 0.5885 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1729 -1.1218 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6208 -2.6537 -1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4181 -1.2931 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9398 -2.9601 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7289 5.7120 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 11 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 15 2 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 25 2 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 21 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 23 26 1 0 0 0 0 23 34 1 0 0 0 0 24 27 2 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 26 28 2 0 0 0 0 26 37 1 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 M END $$$$