B89EAT -OEChem-04012118532D 46 49 0 1 0 0 0 0 0999 V2000 6.1974 -3.6636 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2852 2.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1096 2.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 0.9241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.9315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 0.3363 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0064 0.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -1.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7006 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -2.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6788 1.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 2.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1788 1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 2.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 3.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7498 0.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 0.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 0.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -0.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -0.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -2.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -2.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0330 3.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 0.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 2.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9310 0.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7954 2.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3240 3.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8465 4.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1111 3.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 37 1 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 22 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 14 18 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 27 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$