BD1J2B -OEChem-04022109142D 73 77 0 1 0 0 0 0 0999 V2000 8.8788 3.4655 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8844 3.3161 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 4.3880 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 -1.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5438 -4.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 -0.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1301 1.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2266 -2.5776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0438 -0.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8702 -2.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5438 -2.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 -1.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6778 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 -3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6673 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 -0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4777 0.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1574 -2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -0.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4029 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9393 -2.8357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 2.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 2.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7902 -3.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 3.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1544 3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6505 1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2535 3.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6520 -3.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 3.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7086 1.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 3.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9564 2.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8816 3.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -1.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 -2.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0672 -2.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0204 -2.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 -2.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0672 -3.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 -4.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 -4.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0204 -3.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1342 -3.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9106 0.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 0.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -1.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 1.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0317 -2.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 0.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 1.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1772 -3.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6978 -4.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4033 -3.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9626 -1.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 3.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 4.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -3.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1367 -3.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0385 -2.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4566 4.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1977 1.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 3.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2114 1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5572 2.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 41 1 0 0 0 0 3 41 1 0 0 0 0 4 12 1 0 0 0 0 4 19 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 2 0 0 0 0 7 22 2 0 0 0 0 8 30 1 0 0 0 0 8 40 1 0 0 0 0 13 9 1 1 0 0 0 9 22 1 0 0 0 0 9 51 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 26 11 1 1 0 0 0 11 36 1 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 54 1 0 0 0 0 24 28 1 0 0 0 0 24 55 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 26 31 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 32 1 0 0 0 0 29 34 2 0 0 0 0 30 33 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 35 1 0 0 0 0 32 37 2 0 0 0 0 33 35 2 0 0 0 0 33 63 1 0 0 0 0 34 38 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 39 1 0 0 0 0 37 69 1 0 0 0 0 38 39 2 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 M END $$$$