B1EK8X -OEChem-04022118243D 49 53 0 1 0 0 0 0 0999 V2000 1.1890 0.2362 -1.4416 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6083 -0.1501 0.6667 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 2.3794 0.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -2.2443 0.9039 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 1.6333 -1.6213 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 -0.6909 -2.5581 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6644 -0.6642 0.4999 O 0 5 0 0 0 0 0 0 0 0 0 0 10.2153 1.4757 0.6967 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4502 0.0831 0.5117 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -0.3940 -0.1099 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 0.1044 0.0546 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8463 0.2863 0.5424 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.5950 0.7960 1.1565 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5061 -0.7345 1.3028 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7786 0.9494 0.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6447 -1.2093 0.3884 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2509 1.2190 0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1091 -1.0911 0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4579 0.4220 -1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -0.9088 -1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0951 0.1195 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 1.2528 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 -0.9780 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 1.2888 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -0.9421 -1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4601 0.1913 -0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2996 -0.8300 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7368 -0.5407 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6649 -1.5811 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1706 0.7738 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4601 0.0073 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0265 -1.3072 0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5322 1.0479 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7946 1.2631 2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6729 -1.0233 2.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3195 1.8963 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0666 -2.1936 0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2661 1.0013 -2.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 -1.6141 -1.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 2.1110 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -1.8632 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 2.1755 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 -1.8067 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 -1.4077 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 -1.8906 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3412 -2.6100 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4701 1.6037 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7207 -2.1428 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8338 2.0837 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 27 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 46 1 0 0 0 0 30 33 2 0 0 0 0 30 47 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 M CHG 2 7 -1 12 1 M END $$$$