B9ETU7 -OEChem-04012112213D 44 45 0 0 0 0 0 0 0999 V2000 2.2141 2.0981 -2.2524 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 0.0087 0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 -1.5812 1.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 1.0004 -1.2788 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3810 1.5837 -1.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 -0.9916 -0.3557 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 -0.8978 -0.3596 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1443 0.8959 -1.2149 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4121 -2.3002 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 -3.2034 -1.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2937 -2.1553 -2.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 -2.9069 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 0.0575 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 1.3400 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1601 -1.2129 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6353 -1.0710 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8505 2.3239 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8305 1.5548 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 -0.1627 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 -1.8462 1.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 3.5227 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 2.7534 2.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 -0.0296 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9517 3.7374 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8501 -1.7129 1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4066 -0.8048 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 -4.1729 -1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6055 -3.4469 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 -2.8125 -1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -3.1381 -2.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 -1.5930 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 -1.6412 -2.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -3.9333 0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 -2.9445 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1531 -2.3509 0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1316 -0.6168 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 0.7974 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 0.4675 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0498 -2.5624 2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 4.2995 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9993 2.9207 3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 4.6705 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 -2.3173 2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4900 -0.7282 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 15 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 15 1 0 0 0 0 7 36 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 19 23 1 0 0 0 0 19 38 1 0 0 0 0 20 25 2 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 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 26 44 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$