BMNU25 -OEChem-04022100532D 52 54 0 0 0 0 0 0 0999 V2000 8.9282 -3.7215 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1339 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 0.7730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5516 1.8944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 1.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9474 3.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3651 3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 0.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3173 2.4109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1872 2.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 -1.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -2.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7901 -1.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0122 2.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5640 3.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8826 3.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 4.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 4.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8635 3.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 10 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 33 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 32 1 0 0 0 0 14 20 2 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 22 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$