BJD3S9 -OEChem-04012112062D 44 46 0 0 0 0 0 0 0999 V2000 10.9654 0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.5891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 0.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.7844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 1.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5867 2.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8974 3.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -2.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9050 1.4324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5877 2.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9944 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6073 1.7142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2006 2.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 3.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0900 3.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3081 3.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 27 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 3 30 1 0 0 0 0 4 10 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 24 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$