BNA50Q -OEChem-04022101242D 45 47 0 1 0 0 0 0 0999 V2000 8.8067 1.9607 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.5193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 -0.1086 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6438 -2.6185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.9260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.4260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -1.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 1.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 -3.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7720 -3.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 -0.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5764 -1.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 -0.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 0.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2647 -1.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8741 -1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 1.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 2.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 0.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1878 -3.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0373 -3.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8202 -2.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4683 -2.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2316 -3.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0758 -3.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 3.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 15 1 0 0 0 0 5 19 2 0 0 0 0 6 19 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$