D0I3HE -OEChem-04152110403D 41 44 0 1 0 0 0 0 0999 V2000 -6.5101 0.2200 -1.6428 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7502 0.1834 1.1417 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9636 0.2991 0.0450 N 0 3 2 0 0 0 0 0 0 0 0 0 1.7816 2.3266 0.1092 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 -0.9445 1.1132 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 2.0883 -1.2269 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 1.5820 0.9509 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 0.0683 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5372 -0.3043 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 1.7305 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8549 1.3972 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8843 -1.0474 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5066 0.8069 -1.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 0.3444 1.3212 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4712 -2.4250 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 -3.3160 -0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4057 0.3131 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 -4.7190 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 0.8845 1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 -0.2865 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7584 0.8564 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7234 -0.3147 -1.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8526 0.2567 -0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 -0.4361 -1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 -1.2517 -0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4584 0.7381 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7081 0.7682 -2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 3.3011 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2832 0.4121 2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 -2.8666 1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5425 -2.4007 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -1.7920 1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 -2.8856 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -3.3901 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4092 -4.6986 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -5.3429 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 -5.1928 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4755 1.3570 2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6351 -0.7229 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6286 1.3068 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -0.7818 -2.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 28 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 32 1 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 11 2 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 12 15 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 2 2 -1 3 1 M END $$$$