BL27ZA -OEChem-04022106223D 40 42 0 0 0 0 0 0 0999 V2000 -3.0764 0.6672 0.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3445 -1.1666 -1.4851 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8556 -2.6876 -0.3557 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7089 4.1008 0.3385 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1254 2.9461 1.3369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6178 -2.5305 0.1243 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 -1.8547 0.9377 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 -0.9235 0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1677 2.9918 0.6200 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4566 -3.4950 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -3.1196 1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0147 1.0035 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 -0.5492 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8621 -0.1598 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -1.4134 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 1.3553 -1.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 0.5702 -1.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 -1.7414 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1834 1.7774 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7643 -0.3617 -0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8973 -0.5088 1.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2028 1.4051 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 0.2605 1.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 0.1091 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 1.8073 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8212 1.5176 -0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 -3.5833 -0.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 -4.4605 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 -3.8968 1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0405 -3.0293 2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -2.6779 0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 -1.0132 1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0459 2.2437 -2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 0.8489 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 2.6753 -1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 -1.4009 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1043 2.0055 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8498 -0.0375 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5652 -0.4842 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5183 2.2277 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 15 2 0 0 0 0 3 18 2 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 31 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 32 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 21 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 26 40 1 0 0 0 0 M CHG 2 4 -1 9 1 M END $$$$