B5BNL0 -OEChem-04012116492D 42 46 0 0 0 0 0 0 0999 V2000 6.2528 -2.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3038 0.3789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1540 -1.6774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7318 -0.1304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9218 0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6128 1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 -1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 -0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 -1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3020 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8798 -0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1474 2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5722 -1.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9966 -1.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 3.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6336 3.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 -1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5553 -2.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 -1.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 -3.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8235 -2.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8744 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 1.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 0.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3771 0.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4582 2.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7674 2.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5640 -1.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2799 3.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9457 3.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0869 -2.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 -1.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 -3.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2739 0.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 -2.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5113 1.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9019 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2715 1.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 26 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 10 2 0 0 0 0 4 18 1 0 0 0 0 5 21 1 0 0 0 0 5 26 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$