BXUP94 -OEChem-04022106343D 28 28 0 1 0 0 0 0 0999 V2000 2.6122 0.7694 0.2172 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 -0.4988 0.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 -2.9795 -0.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5543 1.6056 -0.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 0.5606 -1.1325 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 0.4077 1.3924 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7228 2.9517 0.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 2.1075 0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 -3.0730 0.6878 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1522 -1.8244 0.5574 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1903 -1.8901 -0.6396 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6074 -0.5800 -0.7774 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1386 -0.6531 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4862 0.5979 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2503 0.6428 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2326 1.8558 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 -1.6907 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 -2.0600 -1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 -0.5807 -1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6213 -0.4605 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 -0.9358 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1285 1.5721 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 -3.0018 1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2704 -3.8370 0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1964 -3.8004 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0903 2.4255 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 1.2521 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3332 1.0749 1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 2 12 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 16 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 16 2 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 22 1 0 0 0 0 M END $$$$