D00AUX -OEChem-04152122302D 43 45 0 1 0 0 0 0 0999 V2000 8.9757 2.7088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 3.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 4.3180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 2.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 4.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 3.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0946 2.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.5079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 4.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 17 2 0 0 0 0 5 23 1 0 0 0 0 5 26 1 0 0 0 0 6 20 2 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$