B1YCP8 -OEChem-04022112253D 42 42 0 0 0 0 0 0 0999 V2000 -3.2328 -2.1031 0.5429 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8304 -1.1036 0.2879 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 1.3049 -1.9054 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3993 -1.9851 -0.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 -0.0707 -0.1619 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2633 -1.2369 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2953 -2.2675 0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 -0.6363 1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -2.9301 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0985 0.4380 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -0.6273 -1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 0.6668 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -1.6449 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4754 1.3405 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 1.0351 1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 2.2699 -0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0276 0.4092 -1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 1.6591 1.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 2.8937 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2224 2.5884 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.4329 -0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 -1.7227 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 -1.7808 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -3.0459 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -1.4370 1.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -0.1935 2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 -3.6870 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -3.4342 -0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 0.8315 1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 1.2738 0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -1.5507 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6827 -0.4062 -2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2376 -1.0900 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4114 0.4617 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 1.3485 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6057 0.3198 1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0781 2.5144 -1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6092 1.4219 2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0843 3.6162 -0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -0.1129 -2.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6551 3.0736 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3279 -1.8811 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 5 1 0 0 0 0 2 42 1 0 0 0 0 3 17 2 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 16 37 1 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 41 1 0 0 0 0 M END $$$$