B9LCQ3 -OEChem-04022117133D 47 49 0 0 0 0 0 0 0999 V2000 -2.7345 -1.6886 2.4124 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 -2.8765 0.8319 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 -3.1424 0.3587 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5824 0.3649 1.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4225 3.7961 1.9654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 2.6410 1.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 0.3724 -1.4582 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5206 -0.5923 0.5416 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 0.2026 -2.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 1.5735 -1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 -0.6594 -1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 1.3219 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -0.0874 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 0.3756 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1923 -0.5123 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0847 1.2944 -1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 2.3347 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 -2.0411 -1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 2.8582 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 1.5020 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2922 -0.9339 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5115 0.3721 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1653 -2.3180 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 -2.8609 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 -1.6892 1.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 2.9177 1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2533 -2.5250 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 0.9235 -3.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9613 -0.7928 -2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 -0.1651 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9169 -1.5326 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 1.9458 -2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 3.1643 -0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.9027 0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 -2.4802 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 1.6198 -1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 2.4242 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 2.9437 -2.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 2.9698 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8602 3.7107 -1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -0.4615 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9693 -3.9386 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 -1.6286 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1123 4.1679 2.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 -1.8836 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9482 -1.9952 1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 -3.3265 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 22 2 0 0 0 0 5 26 1 0 0 0 0 5 44 1 0 0 0 0 6 26 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 17 26 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 18 35 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$