B3MZE7 -OEChem-04022102213D 48 50 0 0 0 0 0 0 0999 V2000 -3.6574 0.6353 -0.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5348 -0.1383 1.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6169 -1.6918 0.8887 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -1.8322 -0.3134 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 0.3743 -0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 0.0771 -0.0821 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6888 -0.5835 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1921 -0.6708 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4254 -0.3989 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 0.7481 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3435 -0.6876 -1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8167 -0.3184 0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 0.9796 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7138 1.9966 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -0.3846 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7348 -0.6071 -1.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4715 -0.4227 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 2.1123 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1124 -0.2687 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3864 -0.2560 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 1.1002 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3418 -1.1714 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7732 1.0318 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9564 -0.6526 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6841 -0.7989 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1154 1.4042 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 0.4890 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9539 -0.0649 1.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9227 -1.3416 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8252 -1.0915 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9197 -0.3165 1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7832 -0.8294 -2.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 2.8823 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8879 -1.3857 -0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2437 -0.6878 -2.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5485 -0.3689 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 3.0919 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 -1.1678 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 2.1160 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0457 -2.1753 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0655 1.7646 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 2.4047 -0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1154 0.7847 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2909 1.3393 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3637 0.0797 2.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3717 -1.0018 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2588 0.8011 1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -2.5314 1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 28 1 0 0 0 0 3 25 1 0 0 0 0 3 48 1 0 0 0 0 4 24 2 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 44 1 0 0 0 0 6 21 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 32 1 0 0 0 0 12 17 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 39 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 26 2 0 0 0 0 23 41 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$