BD1OI6 -OEChem-04022103122D 58 61 0 0 0 0 0 0 0999 V2000 4.5981 2.5238 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4762 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.0138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 -2.0204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.0004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.0109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1903 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3185 -2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0506 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7266 -0.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9296 -0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8443 -1.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2402 -2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8005 -1.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4046 -0.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9182 -2.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7152 -2.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 -0.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 -0.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3259 -1.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1230 -1.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7385 -3.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5863 -2.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3626 -1.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -0.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4655 -0.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -1.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -1.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 24 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 49 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 7 26 1 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 52 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$