B6KNA2 -OEChem-04022112233D 42 42 0 0 0 0 0 0 0999 V2000 2.2128 0.4816 1.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4703 1.8487 0.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8604 -0.1049 -1.0676 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4889 -0.0426 0.8043 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -0.5289 -0.5898 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.3520 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 -0.9803 0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 -0.6272 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8705 -1.7354 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -0.9530 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1296 -1.4329 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3294 -0.2372 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7955 -0.0436 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3245 0.5089 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8562 -0.4421 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0215 0.8329 0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1431 0.0360 -0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3082 1.3111 0.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 0.9125 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3154 2.5484 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2245 -2.4354 -0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 -1.0939 -1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8075 0.1014 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4932 -1.2158 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 0.4559 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -0.8967 1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 -1.4765 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6794 -2.8145 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 -2.0321 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 -0.6538 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9846 -1.6988 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9637 -2.0290 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1048 0.5760 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 -1.1607 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6939 -1.1247 -1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2527 1.1877 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 -0.2743 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4856 1.9941 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3709 1.2848 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3419 3.6005 -0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3322 2.1466 -0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9101 2.4787 -1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 14 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 33 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$