BTD8R2 -OEChem-04022115543D 50 54 0 0 0 0 0 0 0999 V2000 1.2219 0.4067 -0.3668 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 -1.2988 -2.5825 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 0.0433 -0.7013 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -0.7784 1.4247 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1123 0.0112 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 -1.1934 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 1.3158 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8839 -0.2581 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 0.6201 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 0.2793 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 0.0722 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5118 -0.5117 -1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 -0.6197 -1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0268 -1.6736 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0984 2.0003 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -1.7504 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8783 1.4974 1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8428 -1.7430 1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 2.3329 -0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7842 -0.7217 -2.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1604 1.6565 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 -1.0599 -2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 -1.9627 1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 2.5084 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 -2.8572 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4078 2.6963 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3076 -2.8497 1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 3.5317 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5483 -3.4069 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7471 3.7133 0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4714 -0.1204 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1675 0.5554 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 -2.4111 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 2.7010 -0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -1.3310 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6085 0.7418 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8782 -1.3253 1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8822 2.2053 -2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 -1.0466 -2.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 -0.6922 1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0168 2.0530 1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -1.6746 -3.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 -2.9046 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3132 3.5838 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2901 -3.2907 0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5514 2.8401 2.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 -3.2761 2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8203 4.3240 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9106 -4.2681 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1581 4.6472 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 32 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 6 16 2 0 0 0 0 6 18 1 0 0 0 0 7 17 2 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 21 2 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 14 23 2 0 0 0 0 14 33 1 0 0 0 0 15 24 2 0 0 0 0 15 34 1 0 0 0 0 16 25 1 0 0 0 0 16 35 1 0 0 0 0 17 26 1 0 0 0 0 17 36 1 0 0 0 0 18 27 2 0 0 0 0 18 37 1 0 0 0 0 19 28 2 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 29 2 0 0 0 0 25 45 1 0 0 0 0 26 30 2 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$