BDG5B9 -OEChem-04022104093D 56 58 0 0 0 0 0 0 0999 V2000 -8.4667 -1.5245 -0.0603 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 0.4079 -1.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5722 -0.6468 0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4718 -2.2065 -1.3471 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 1.4652 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9485 0.2465 -0.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 2.2585 0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 1.5479 0.4273 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2638 -2.6868 1.1755 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5483 0.5629 -1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 1.1150 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9783 0.5961 -1.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8098 1.1471 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0463 1.4324 0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3121 0.2814 -1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 2.2696 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2487 -0.5705 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9305 -0.0173 0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 -1.9131 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 1.3092 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7982 -0.8066 1.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 -2.7025 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9841 -2.1492 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6004 0.8176 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7231 1.2043 1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6667 -0.2894 -0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9784 -0.6229 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9123 0.4840 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8556 -1.0095 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 -0.4679 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8794 0.8588 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 1.8357 1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1635 0.1213 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 -0.1250 -2.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 1.5899 -2.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0763 2.1781 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4651 0.8408 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6741 0.4047 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 1.8673 1.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6968 1.3073 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3341 -0.1108 -2.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4515 3.3151 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 1.9115 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4864 2.9686 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 1.0306 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9078 -2.3574 -1.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3318 -0.3750 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4467 -3.7481 -0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -2.7638 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4229 2.3411 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6843 2.0640 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8409 -0.6508 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7723 0.7990 1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 -1.8724 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8464 -2.5950 2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0935 -3.6594 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 27 1 0 0 0 0 2 20 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 44 1 0 0 0 0 8 20 1 0 0 0 0 8 24 1 0 0 0 0 8 50 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 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 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 19 22 2 0 0 0 0 19 46 1 0 0 0 0 21 23 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 25 51 1 0 0 0 0 26 29 2 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$