B2NXY8 -OEChem-04042103213D 42 44 0 0 0 0 0 0 0999 V2000 -2.2472 2.0431 0.8269 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.0272 -1.7444 -0.2620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7248 -0.8928 1.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9472 -1.3640 1.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -1.1407 -0.8515 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3069 0.9144 0.3385 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 -0.6174 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 -1.6235 -0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7579 -0.0837 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 -2.1621 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 -1.3579 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 -0.3798 -1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 -1.8611 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4576 -0.8829 -1.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2162 1.1506 -0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4555 1.6137 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5869 -0.7676 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 -0.2668 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 -0.8231 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2215 0.2352 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 2.8729 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8735 1.5702 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5462 -0.1061 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8503 2.5639 0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5230 0.8875 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 2.2225 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6169 -2.6021 -1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -2.9641 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 -1.5402 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2075 0.1742 -2.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -2.4289 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0424 -0.6953 -2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5384 1.7129 -1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3434 -1.7087 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 -0.6342 -1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 1.2930 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8748 2.6594 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 3.3642 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2739 3.5826 -0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5963 3.6089 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 0.6389 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9356 2.9961 0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 5 35 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 17 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$