BNA50Q -OEChem-04022114413D 45 47 0 1 0 0 0 0 0999 V2000 -1.2880 -3.3794 0.5592 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5851 0.3187 -0.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 -0.9287 -0.3606 N 0 0 3 0 0 0 0 0 0 0 0 0 -5.3210 2.0306 -0.0908 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 0.2216 0.6314 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 -0.2914 -1.6335 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9791 0.1198 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -2.1576 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -0.6623 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4406 0.9596 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 -3.3764 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8234 -1.6638 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 0.6325 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 -1.3584 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.0680 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1521 0.9279 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5441 3.1287 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1452 2.5203 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2299 0.1042 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6534 0.4284 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2377 0.8390 1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6169 0.9915 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7771 0.6631 -0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 0.7029 -1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8561 -0.3383 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 -2.1020 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6997 -2.2662 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9918 0.2900 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 1.3518 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7332 -3.3882 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4225 -4.2922 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8046 1.4656 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 -2.1357 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5106 1.9431 -0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 3.9330 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8312 3.5545 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9931 2.8139 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5386 2.9208 1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 3.3085 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7773 1.7176 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 1.0096 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0263 -0.5288 -1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6998 -0.3587 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3966 1.3020 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6288 0.6258 -1.0868 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 $$$$