BA93DJ -OEChem-04012112202D 51 54 0 0 0 0 0 0 0999 V2000 7.2125 3.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7772 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6879 2.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2772 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9213 5.2772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5366 3.8074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9444 3.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 4.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8046 3.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7931 4.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6764 3.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -0.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 2.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -5.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -5.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9516 2.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5206 5.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3264 5.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0770 3.5036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5294 4.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 21 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 33 2 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 37 1 0 0 0 0 7 24 1 0 0 0 0 8 30 1 0 0 0 0 8 32 2 0 0 0 0 9 33 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$