B5X4MU -OEChem-04012113353D 54 57 0 1 0 0 0 0 0999 V2000 -0.1221 0.3319 -1.7245 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0608 -0.4369 -2.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 1.7371 -1.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 -0.5139 -0.4217 N 0 0 2 0 0 0 0 0 0 0 0 0 0.9550 1.2917 1.3204 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5498 1.6217 2.5586 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 -1.9992 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4203 0.1380 0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 0.2616 -1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -2.6094 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3801 -0.3475 1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.8066 -1.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3528 1.2735 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 2.1211 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4906 0.1491 -0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9414 -0.8629 -1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 1.2173 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2655 0.6166 2.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 -2.8896 -1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 -2.8859 1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9273 0.0894 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 1.5687 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 3.4894 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0365 -3.4561 -0.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4778 -3.4522 1.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3771 -3.7373 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6026 2.3982 -0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 4.3190 0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 3.7733 -0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1518 -0.6378 1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8669 -1.7621 1.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.3557 -1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2025 -2.3904 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9837 -1.2421 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 -1.6081 -2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7576 2.1179 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 -1.7017 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1114 2.0118 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 0.6304 3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5429 -2.6716 -2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 -2.6761 2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5119 -0.3701 -0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3285 1.1066 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 0.5029 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 3.9451 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7371 -3.6772 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 -3.6727 2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 -4.1784 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 1.9721 -1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 5.3901 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 4.4189 -1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7134 -0.2052 2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3315 -2.2319 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9957 -2.2313 2.2659 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 4 1 0 0 0 0 1 9 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 18 2 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 19 2 0 0 0 0 10 20 1 0 0 0 0 11 18 1 0 0 0 0 11 34 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 36 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 24 1 0 0 0 0 19 40 1 0 0 0 0 20 25 2 0 0 0 0 20 41 1 0 0 0 0 21 30 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 27 1 0 0 0 0 22 44 1 0 0 0 0 23 28 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$