B3DFJ8 -OEChem-04012119202D 52 55 0 0 0 0 0 0 0999 V2000 4.4487 1.1434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 2.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 0.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2177 -2.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.6613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 2.3111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 3.3872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -1.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 -1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 -2.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 -2.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 -2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 2.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6358 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5283 -3.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 2.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 3.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 0.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 0.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 3.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 3.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -0.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -1.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 -2.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7574 -0.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1788 -3.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3426 -0.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7639 -3.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9390 -3.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7210 -3.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1177 -3.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 4 21 2 0 0 0 0 5 29 1 0 0 0 0 5 32 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 30 3 0 0 0 0 9 31 3 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 20 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END $$$$