BDA8H1 -OEChem-04022106182D 47 50 0 0 0 0 0 0 0999 V2000 8.9900 3.4501 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9005 -3.1182 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2541 -3.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 0.8901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 1.6948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9220 -2.9120 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 -0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 -0.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3221 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2791 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6328 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6113 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 3.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 2.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 3.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 3.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3825 0.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7154 -0.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8858 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2187 -2.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0963 3.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 3.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8406 4.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 28 1 0 0 0 0 2 14 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 8 21 2 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$