BAJ0O1 -OEChem-04022103042D 44 46 0 1 0 0 0 0 0999 V2000 7.6651 1.2069 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 3.4523 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 1.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 2.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 0.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0734 2.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 4.4038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4476 3.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 3.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.2291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 1.0288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 1.3395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.2786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 2.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 1.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 -0.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 0.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 2.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 2.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0802 1.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 2.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 4.5338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3177 2.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 17 4 1 1 0 0 0 5 21 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 20 12 1 6 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 23 2 0 0 0 0 13 24 1 0 0 0 0 14 22 2 0 0 0 0 14 26 1 0 0 0 0 15 25 1 0 0 0 0 15 26 2 0 0 0 0 16 25 1 0 0 0 0 16 27 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 21 1 6 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 23 35 1 0 0 0 0 24 25 2 0 0 0 0 26 36 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$