BBD5H8 -OEChem-04022114413D 42 44 0 1 0 0 0 0 0999 V2000 -4.0918 -2.3879 0.5435 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8105 0.4979 1.2309 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 0.4352 -0.4604 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7713 3.9265 -0.2951 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6104 -0.9656 -0.5664 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 -0.1884 1.6795 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 0.2818 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6861 1.7555 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 -0.5516 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0004 -1.0489 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 -1.8511 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1693 2.6111 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7186 -0.3026 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -2.8187 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 -1.2699 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -2.5282 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 4.7414 0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 -0.4644 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7768 -0.1602 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 -0.3360 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7872 0.0750 -1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 0.5492 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 0.4090 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0478 1.0742 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 2.2370 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 1.6941 -1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9817 -1.1980 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0431 -1.0949 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3178 2.1295 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 2.7174 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 0.6633 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 -3.8153 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 -3.2898 0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5751 4.3966 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3479 4.2831 1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 4.9035 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 5.7201 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -0.7389 -2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9957 -0.3637 1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5823 0.2034 2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4815 0.0253 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0906 0.9233 0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 4 34 1 0 0 0 0 5 15 1 0 0 0 0 5 18 2 0 0 0 0 6 18 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$