BVQ3B6 -OEChem-04022106192D 45 47 0 1 0 0 0 0 0999 V2000 8.1601 -2.7772 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9202 1.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 2.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1921 0.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 1.2228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 2.1707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.8617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 1.8106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6601 2.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 2.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9691 1.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 1.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0261 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2941 -0.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0261 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2941 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2541 1.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 3.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0536 2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2666 2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5953 3.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7858 2.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -0.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 -1.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 -1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -0.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 -0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 0.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 0.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5631 0.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 0.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5631 -1.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 -1.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 3 19 1 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 6 31 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 6 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 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 2 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$