BDN74I -OEChem-04012120102D 45 47 0 0 0 0 0 0 0999 V2000 5.5116 1.3717 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2785 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7215 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 2.7730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2215 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1808 2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 2.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 3.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 3.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 4.7035 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 -1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9064 5.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9010 5.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7769 2.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1320 2.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 0.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8342 0.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1484 1.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 3.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 4.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 4.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 6.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1531 6.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 17 22 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$