B3NJD5 -OEChem-04022106503D 31 33 0 0 0 0 0 0 0999 V2000 -4.9257 1.5118 -0.1299 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -3.0165 -0.0192 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 -2.5514 -0.0517 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 3.1546 0.1608 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 -0.7333 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0616 -1.1903 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -0.4936 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 -1.9014 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7918 0.5839 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.3948 -1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2533 -0.7046 0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6223 -4.4098 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 1.0119 -0.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 1.4398 1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8189 1.0721 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 -0.0273 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 0.8611 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1689 2.2948 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 2.7034 1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 -1.9718 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 0.5700 -1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 -1.3907 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -4.8830 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2314 -4.8544 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 -4.5172 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 0.3778 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8118 1.1440 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0399 1.7633 -1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2015 -0.1906 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 2.6770 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 3.4086 1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 18 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 14 19 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END $$$$