B7YXS3 -OEChem-04022104253D 42 44 0 0 0 0 0 0 0999 V2000 -2.5343 2.1374 0.7916 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6277 -3.3203 -0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4797 0.3477 -0.2806 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.4300 -0.0347 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7679 -1.3605 -0.1308 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 -1.2827 -0.2909 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -0.5535 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0761 0.5236 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3429 -0.0982 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 -0.0613 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 0.8632 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3105 1.0540 -1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3288 0.9329 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 1.0462 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5758 0.5632 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 0.9668 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4838 0.2524 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 1.1392 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1097 0.4246 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 -1.5206 1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6211 -1.2194 0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 -2.1555 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8242 1.7507 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 1.8354 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1858 0.4556 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9015 1.6068 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 0.7897 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7265 1.1691 -2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0432 0.0219 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6858 1.4809 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 0.2369 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7358 -1.6584 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5668 -1.5205 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7605 -1.0327 2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 -1.9223 1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4459 -2.3579 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5607 -0.8234 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6576 -1.1842 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4990 -2.2521 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 2.4951 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 1.1131 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0002 2.2814 -1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 22 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 7 2 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 5 32 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 6 33 1 0 0 0 0 7 20 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 23 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M CHG 1 4 1 M END $$$$