B9ZCR0 -OEChem-04042104533D 42 43 0 1 0 0 0 0 0999 V2000 0.6341 -2.0797 0.6006 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 0.4370 -1.1477 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 -2.8603 1.8204 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 -2.6120 -0.5621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -0.9799 0.6653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 -0.5438 0.9538 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 0.2376 -0.1086 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8203 1.7342 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3865 2.2007 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0132 -1.6870 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3943 -0.1921 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 2.6472 -0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 2.1749 1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2662 -1.4296 -1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -1.6445 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -1.0728 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 -1.1200 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 -1.3351 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 3.0788 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 2.6064 1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 3.0584 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 -0.7431 -1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4305 0.1246 -1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4957 0.0025 -1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 2.3202 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 1.9782 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -0.3227 1.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 2.6635 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 1.8294 2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4806 -1.4543 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 -1.8374 2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 -0.9138 -2.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 -1.2974 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 3.4289 -1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 2.5901 2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 3.3929 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1443 0.3384 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1722 -1.0798 -2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7214 -1.2377 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9767 0.4221 -0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8226 0.6884 -2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5607 -0.9438 -1.4826 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 6 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 19 1 0 0 0 0 12 28 1 0 0 0 0 13 20 2 0 0 0 0 13 29 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$