B4AIB5 -OEChem-04022105243D 45 48 0 0 0 0 0 0 0999 V2000 -2.0264 -2.3644 -0.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -0.4695 0.5251 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -1.0690 0.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2342 1.3958 -1.4857 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 -0.3025 0.1697 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4439 3.0332 0.7328 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4832 0.0081 1.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 -1.4033 -0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 0.1264 0.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6662 -2.0566 -0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 -0.1280 0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 0.4914 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7033 -1.3266 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -0.4077 1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 0.8074 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 0.9102 -1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8459 -0.0813 1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5362 0.5338 0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 1.4621 -2.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9882 -0.2547 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7162 0.8800 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6357 -1.3428 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0916 0.9266 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0111 -1.2961 -0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -0.1615 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8378 2.0892 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 0.9875 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -0.6933 2.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -0.8677 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7362 -2.1881 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 0.3470 1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0464 0.9568 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3299 -2.7194 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7959 -2.6748 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -0.8913 2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 0.8361 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5866 0.7874 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3715 -0.3090 2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 1.7307 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 1.8988 -3.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 0.5422 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 1.7281 0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -2.2621 -0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5171 -2.1438 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8107 -0.1405 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 5 41 1 0 0 0 0 6 26 3 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 37 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$