BO4QS9 -OEChem-04042105483D 29 30 0 0 0 0 0 0 0999 V2000 2.6805 -2.3737 -0.0014 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 0.8518 -0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9696 1.5553 -0.0024 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 -1.7250 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7138 0.0238 0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 -1.0715 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 -1.2488 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 0.3221 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3686 -1.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6629 0.2211 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4851 0.9685 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 -1.1726 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 0.1286 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 -1.0627 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 1.4193 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 2.7038 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8554 2.2787 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0339 -2.7387 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 0.9552 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3385 -2.9054 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4587 2.0529 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5188 -1.7599 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 -1.2305 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 2.7312 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 2.7306 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 3.5760 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8985 2.6117 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 2.6770 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3938 2.6764 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 18 1 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 9 12 2 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$