B0BRN4 -OEChem-04022116503D 43 46 0 0 0 0 0 0 0999 V2000 3.9737 -0.6159 -0.5010 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.2601 1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 0.7690 -2.4092 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1894 -0.1885 -0.9835 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 -1.1390 0.6659 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4651 -0.9183 -1.8317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8258 2.9969 -0.6158 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5376 -2.9762 2.0131 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 1.0715 -0.3399 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9776 2.4068 1.4664 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -2.4376 -0.0338 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -1.1598 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 2.2004 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 3.0766 1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 -1.8994 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3115 -1.9994 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7178 -1.4800 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1655 1.6387 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 -1.2654 -1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3401 1.1279 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3452 1.9429 -0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -1.6932 -1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3055 0.5812 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9401 2.4217 0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 1.6418 1.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 0.8195 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6722 -0.0654 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5858 -2.5966 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1778 3.9818 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 3.4059 2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2679 -1.4116 1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 0.8776 1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 2.3419 1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 1.6903 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9976 -1.0074 -2.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6032 2.3704 -1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -1.7737 -2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 1.8910 2.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3303 1.8416 2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0907 0.3853 1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -2.6094 -0.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -1.0651 -2.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4532 0.3607 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 28 1 0 0 0 0 3 20 1 0 0 0 0 3 27 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 7 24 2 0 0 0 0 8 28 2 0 0 0 0 9 18 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 11 41 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 13 25 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 22 1 0 0 0 0 17 31 1 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$