B1QB0E -OEChem-04022106382D 42 44 0 1 0 0 0 0 0999 V2000 2.2218 0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 1.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.9299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.5701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -4.1913 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7989 -0.8996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -5.1048 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.5878 -2.4687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5878 -2.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -1.5176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2788 -1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 2.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 3.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 3.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 4.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 3.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 3.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 5.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 4.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 5.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4859 3.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4859 4.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8693 -3.0211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 -3.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 -2.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 -0.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 -0.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 -1.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1659 -0.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 0.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 1.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 3.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5726 2.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 5.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 4.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5726 5.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 4.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 2 0 0 0 0 9 4 1 6 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 35 1 0 0 0 0 6 8 2 0 0 0 0 7 15 3 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 6 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 24 2 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 25 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 2 6 1 8 -1 M END $$$$