B4MLI1 -OEChem-04012119302D 46 48 0 1 0 0 0 0 0999 V2000 2.9176 -3.0173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -2.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.0173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7282 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3252 0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9403 0.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 1.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 2.0542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 0.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9042 2.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 3.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2842 3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1722 3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3252 3.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5522 2.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 9 2 1 6 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 17 1 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 14 2 0 0 0 0 5 19 1 0 0 0 0 6 17 2 0 0 0 0 6 22 1 0 0 0 0 7 20 2 0 0 0 0 7 24 1 0 0 0 0 8 27 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 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 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 18 40 1 0 0 0 0 19 24 2 0 0 0 0 20 27 1 0 0 0 0 21 25 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 26 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$