LKU90S -OEChem-05032301473D 45 48 0 0 0 0 0 0 0999 V2000 -4.5763 2.4112 0.0200 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3637 -1.5350 0.0077 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3239 2.8076 -1.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4168 2.9548 1.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -1.2767 -0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5686 0.7834 0.0054 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9381 1.1363 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 -0.0657 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 1.0903 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 -0.1436 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1849 -0.1328 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 -1.3183 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9719 -0.2563 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8795 -0.1539 -1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8837 -0.1733 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 2.4391 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3921 -0.2241 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 -0.2156 -1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 -0.2350 1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8688 -2.5437 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4174 -0.3199 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 2.3536 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 -1.4630 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2635 -2.6240 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0455 -1.5604 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 0.8116 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4342 -1.6303 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1436 -0.4402 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6352 -0.4764 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 -0.1221 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -0.1568 2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1253 2.3540 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5548 3.0642 0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 2.9726 -0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0172 0.6651 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -0.2307 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 -0.2653 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2938 -3.4679 -0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7504 -3.5947 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4693 -2.4825 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9357 -2.5921 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8186 3.6547 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0050 -1.0031 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0535 0.5355 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0019 -0.9840 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 42 1 0 0 0 0 4 22 2 0 0 0 0 5 8 2 0 0 0 0 5 12 1 0 0 0 0 6 26 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 23 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 24 2 0 0 0 0 20 38 1 0 0 0 0 21 25 1 0 0 0 0 21 26 2 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$