B08VAO -OEChem-04022107232D 82 83 0 1 0 0 0 0 0999 V2000 14.3941 0.6871 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8941 -0.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3941 4.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8941 3.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3941 -0.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3941 1.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3941 0.6871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8941 1.5531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1529 2.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 2.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 2.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3941 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 2.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8941 1.5531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.3119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3941 2.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8941 1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8941 3.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3941 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3941 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 1.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7518 2.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3134 3.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3475 3.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5882 2.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 3.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 3.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 2.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 3.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 2.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7041 0.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2041 1.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9192 2.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9192 2.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 2.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0841 0.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7041 4.6881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3941 0.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0141 0.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3941 1.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 34 1 0 0 0 0 1 37 1 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 27 2 0 0 0 0 5 33 1 0 0 0 0 5 71 1 0 0 0 0 6 33 2 0 0 0 0 7 36 1 0 0 0 0 7 38 1 0 0 0 0 8 35 1 0 0 0 0 8 75 1 0 0 0 0 9 35 2 0 0 0 0 10 36 2 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 20 14 1 1 0 0 0 14 27 1 0 0 0 0 14 60 1 0 0 0 0 15 23 1 0 0 0 0 28 15 1 1 0 0 0 15 61 1 0 0 0 0 29 16 1 1 0 0 0 16 36 1 0 0 0 0 16 69 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 1 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 62 1 0 0 0 0 29 32 1 0 0 0 0 29 63 1 0 0 0 0 30 33 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 34 2 0 0 0 0 31 66 1 0 0 0 0 32 35 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 34 70 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 39 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 78 1 0 0 0 0 41 43 2 0 0 0 0 41 79 1 0 0 0 0 42 44 2 0 0 0 0 42 80 1 0 0 0 0 43 44 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 M END $$$$