BK9FA1 -OEChem-04012113493D 40 42 0 0 0 0 0 0 0999 V2000 1.1788 3.6554 -0.5104 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0113 -3.0277 -0.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 1.6870 0.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 -0.4406 -0.0301 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 0.9560 0.0887 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1499 -0.0276 0.2539 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 1.9404 -0.2673 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -0.7264 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -1.3368 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5108 -2.2000 0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6203 -2.7850 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4243 0.7860 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 2.1368 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 0.6126 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2679 -0.0450 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 -1.4060 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 0.6771 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7482 -1.3223 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5849 -2.0446 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6717 0.0386 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0738 -2.0046 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 4.8767 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 -0.0968 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -0.4774 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -1.1309 -1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 -1.1493 -1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -2.4416 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -2.4450 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -3.0317 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -3.4579 -1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4604 -2.0010 0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4052 1.7386 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6322 -3.1048 0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5712 0.6124 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7762 -1.5388 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9841 -3.0571 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 -1.9533 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3097 5.8837 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 4.7392 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 4.7671 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$