B9PGB1 -OEChem-04022106423D 42 45 0 0 0 0 0 0 0999 V2000 0.9302 -1.9103 0.8555 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 2.0314 0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7907 -0.0903 -0.5788 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 1.4843 -1.5233 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2891 0.0241 0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9962 0.4538 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -1.2940 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -0.4403 0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8669 0.5308 -1.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6904 -1.5381 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 -2.1002 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 1.6566 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8416 -0.1205 1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1371 1.4323 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8511 1.9528 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 1.0794 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 -3.0850 -1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 2.2697 -1.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -3.6918 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 1.4876 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 -3.1476 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1957 1.4798 1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4309 0.7499 -0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 0.7451 1.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0797 0.0406 1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 -0.2578 -2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 1.1253 -2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8382 -2.4110 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 2.3473 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3289 -0.7921 1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3504 2.8799 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4314 1.3316 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 0.9444 -2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 -3.3629 -1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 2.6019 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1082 3.1711 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 -4.4863 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 -3.4162 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 2.0422 1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 0.7148 -1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9341 0.7240 3.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7788 -0.5487 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 4 33 1 0 0 0 0 5 23 1 0 0 0 0 5 25 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$