B8LEK3 -OEChem-04012115082D 42 43 0 1 0 0 0 0 0999 V2000 7.2106 4.7620 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 6.0124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 4.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8462 5.0419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3735 5.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 5.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 6.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 7.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5774 8.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 7.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9896 9.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 8.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 9.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 4.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 6.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 5.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 4.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 6.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 7.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 4.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2106 5.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 8.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 7.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 10.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9717 8.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 9.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2106 4.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 19 1 0 0 0 0 2 41 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 9 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 1 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 21 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$