BO5RS7 -OEChem-04022118293D 51 54 0 0 0 0 0 0 0999 V2000 5.2597 1.5909 -0.3715 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6428 2.3848 0.7888 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 2.0827 -1.7113 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 0.7925 2.0951 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 0.5744 -0.1882 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1036 -3.6171 0.3097 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5403 1.2926 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 0.0454 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 0.8163 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8628 1.3357 0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 1.0114 -1.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4891 1.0975 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4705 0.7733 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4269 -0.7243 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4461 -0.4009 1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.3151 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5525 -0.1785 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 0.5726 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -0.4349 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0914 -1.9403 -1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1108 -1.6168 1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4334 -2.3866 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 0.8206 1.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -0.4371 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1865 0.5737 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5712 -0.6839 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5677 -1.5676 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6796 0.4504 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9151 -1.8151 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0268 0.2031 -1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6446 -0.9297 -0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 1.5468 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 0.9642 -2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 1.1467 1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 0.5532 -2.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 -0.3981 -2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 0.1773 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 0.4285 -1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3357 -2.5321 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3699 -1.9550 2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 0.9759 1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8397 -1.2795 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 1.4134 2.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -0.8854 -1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0136 -2.2681 1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2136 1.3382 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3961 -2.6970 0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5951 0.8924 -1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6936 -1.1222 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3403 -4.1742 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3545 -3.9398 1.2347 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 7 1 0 0 0 0 1 8 1 0 0 0 0 4 18 2 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 5 38 1 0 0 0 0 6 22 1 0 0 0 0 6 50 1 0 0 0 0 6 51 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 11 13 2 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 20 1 0 0 0 0 14 36 1 0 0 0 0 15 21 2 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 19 27 2 0 0 0 0 19 28 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$