BB4ZD1 -OEChem-04022105303D 81 83 0 0 0 0 0 0 0999 V2000 -2.8456 3.0631 -0.2239 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 -3.8398 -1.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5287 -1.1096 0.4835 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 -3.0469 0.9751 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7961 -2.0412 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3698 -0.7784 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 -2.3232 1.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8911 -0.8659 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -2.3596 1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 -1.9069 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9843 -1.1393 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 -3.1682 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 0.2463 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 1.3079 -2.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 2.3363 1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9008 0.8966 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2922 1.3912 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3589 -0.8039 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3425 1.7931 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9092 -2.2095 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -0.4019 -1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8006 0.0927 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 -3.2000 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6736 -3.3966 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 0.1364 -3.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 2.5082 -3.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 1.7432 -1.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 3.5911 1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8296 1.6571 2.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 2.8942 2.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7246 0.8824 -0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 0.8938 1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 2.1661 -1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5005 2.1775 1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6553 2.8136 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9716 -2.8853 -0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 0.1041 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -0.6325 -1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2286 -3.2900 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -1.5569 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2132 0.0878 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1488 -1.6536 -1.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 -3.2225 0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -2.5067 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -1.6805 -0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 -1.0558 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4418 -1.6398 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3027 -1.7332 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0819 -3.3869 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1237 -4.0286 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 -2.6736 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9507 -2.2029 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9478 -2.5531 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1135 -1.1441 -1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5354 -0.2862 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1188 -2.8873 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5863 -4.1839 0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4285 -0.1761 -3.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1274 -0.7301 -2.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 0.4489 -3.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 2.2630 -3.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 3.4683 -2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 2.6896 -3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5514 2.7070 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2516 1.8091 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2396 0.9926 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 4.2070 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2226 3.2939 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7437 4.2424 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 0.8076 3.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 1.3379 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1847 2.3677 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1351 2.0699 3.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 3.5050 2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 3.5196 3.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4445 0.3859 -1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 0.4106 2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3916 2.6598 -1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 2.6819 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2467 3.2892 -0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0787 3.8127 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 80 1 0 0 0 0 2 24 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 24 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 36 1 0 0 0 0 6 8 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 31 2 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 33 1 0 0 0 0 31 76 1 0 0 0 0 32 34 2 0 0 0 0 32 77 1 0 0 0 0 33 35 2 0 0 0 0 33 78 1 0 0 0 0 34 35 1 0 0 0 0 34 79 1 0 0 0 0 35 81 1 0 0 0 0 M END $$$$