LJQH29 -OEChem-05032301122D 43 46 0 1 0 0 0 0 0999 V2000 2.9805 -2.6976 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1923 2.1455 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 -2.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 -0.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1771 -3.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7839 -1.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5619 -0.2130 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6970 3.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 0.9432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -2.5010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5214 2.7025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5814 -0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2614 -1.3570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2224 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9024 -1.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 1.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 1.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 -1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 2.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 2.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 2.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2243 1.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4915 0.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1696 1.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 0.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9685 -0.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0631 -1.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7664 -1.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6098 -0.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9169 -2.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 -2.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 3.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7104 0.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 -2.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6878 3.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8303 2.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 0.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8781 -2.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 -3.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -3.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 27 1 0 0 0 0 2 26 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 19 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 35 1 0 0 0 0 9 16 2 0 0 0 0 9 24 1 0 0 0 0 10 19 1 0 0 0 0 10 37 1 0 0 0 0 11 20 1 0 0 0 0 11 24 2 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 19 1 1 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 0 0 0 0 22 36 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$