B5Q8KL -OEChem-04022109283D 33 35 0 0 0 0 0 0 0999 V2000 1.4469 2.2313 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 -1.9104 0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5382 -1.9242 -0.0010 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4950 -2.7268 -0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 0.2443 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 2.5067 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2943 -1.7596 -0.0008 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8993 0.3651 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8873 1.0699 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5591 0.8771 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4675 1.2856 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -1.0125 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3959 -0.2290 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9782 1.2570 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 2.1598 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7752 -0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -1.4907 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 1.9510 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 0.7787 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6456 0.6522 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 -0.5951 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -3.2924 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -1.0757 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8358 2.3350 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 3.1858 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7276 -2.5415 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8147 2.7996 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1216 1.4756 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7255 0.5279 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5502 -0.9663 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -3.5744 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 -3.8601 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 -3.5732 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$