BC3UX6 -OEChem-04022106563D 45 47 0 0 0 0 0 0 0999 V2000 3.3576 -2.1013 -0.8337 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 2.2291 -0.9734 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9399 -2.7849 -0.4690 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 -2.4207 1.8161 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -3.2347 -0.3851 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1808 -1.8892 -2.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8745 3.3821 -0.6075 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 1.8744 -2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 -2.2001 -0.0709 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5284 2.3581 -0.2213 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9662 -1.0404 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 -0.6560 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 1.2079 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7699 0.8340 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 -0.4394 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 -0.5172 -1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 0.6848 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 0.6069 -1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7999 -0.7383 1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.5807 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 1.6528 0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 0.4160 1.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 1.7350 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5759 -0.4513 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 1.0199 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 2.8871 1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.5507 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0622 -0.0795 1.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8682 -1.3649 1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -2.7274 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4854 2.9543 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 -0.8378 2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 -0.9786 -2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 1.1439 1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5563 1.0065 -2.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9685 -1.6893 1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2598 0.6706 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9364 0.3393 2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2194 2.6923 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 -0.6217 -1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6701 2.0109 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7288 3.0624 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1048 3.7628 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8016 2.8019 2.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6394 0.0644 2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 27 1 0 0 0 0 4 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 25 28 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$