B4H3YF -OEChem-04022108113D 52 53 0 1 0 0 0 0 0999 V2000 0.9473 -4.9694 -0.8270 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 2.6637 0.4922 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 1.5894 -1.2346 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 1.2199 0.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 2.0235 2.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 -5.5999 -0.9866 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 -4.1516 -1.8878 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 1.1368 0.5861 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -4.0673 0.6305 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 1.9438 0.3868 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 -6.1870 -0.4205 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 2.4345 -1.6944 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 0.0962 1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5337 -1.1988 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 1.3060 1.0964 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0475 -2.3452 1.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -3.6484 1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8799 1.6147 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5371 1.5094 1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2773 2.3192 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 1.5556 1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0067 1.1757 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4647 2.0950 -0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5739 -0.0970 0.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5091 2.9968 -0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6306 2.8236 -2.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4899 1.7417 -1.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5991 -0.4502 -0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0571 0.4692 -1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 -0.0737 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 0.3151 2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5623 -1.4611 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2315 -1.0499 0.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 2.1868 1.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3488 -2.5027 2.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0135 -2.0695 2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9574 -3.5019 0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 -4.4351 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 0.7051 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 -4.3925 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 1.9446 1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9386 2.6319 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 1.0213 2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7996 -6.8918 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 -5.9117 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0293 3.0887 -0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 -0.8227 0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5475 3.2940 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 2.9690 -3.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8462 2.4572 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0404 -1.4413 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8551 0.1940 -2.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 4 21 1 0 0 0 0 5 19 2 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 39 1 0 0 0 0 9 17 1 0 0 0 0 9 40 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 41 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 20 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 27 1 0 0 0 0 23 46 1 0 0 0 0 24 28 2 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$