BJU18H -OEChem-04022101373D 49 51 0 1 0 0 0 0 0999 V2000 -4.6566 -0.9977 -1.0652 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 -0.4175 -2.5245 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.1065 -1.5056 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 -2.1774 1.3019 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 -0.7331 -0.3828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0453 -2.0928 -0.5477 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9256 0.1864 -1.1519 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 -1.1223 0.0405 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 2.4970 3.5338 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1115 -3.0779 0.2154 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6506 -4.2964 0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -3.9360 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 -2.3506 -0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7902 -3.2637 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 -0.8546 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0371 -1.0419 1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7755 0.1087 1.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 1.2503 1.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 1.5672 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 0.0074 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 1.2070 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 2.5165 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1698 2.4840 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0524 2.0094 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6788 -0.0762 -1.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 3.8435 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1748 3.3686 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2947 4.2856 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 -3.4317 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -5.0777 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1518 -4.7071 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 -3.2627 1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6346 -4.8402 1.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6741 -3.0032 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1261 -1.4475 -1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8085 -2.9909 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8722 -3.9570 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1635 -0.0392 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 0.1144 2.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0501 2.0897 0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1876 2.6968 2.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6746 3.3714 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 2.1523 -2.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7472 1.3448 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 4.5572 -1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 3.7133 0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 3.3864 3.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 1.7853 4.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3887 5.3437 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 15 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 38 1 0 0 0 0 8 16 1 0 0 0 0 8 20 2 0 0 0 0 9 22 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$