D07ESH -OEChem-10101305022D 41 45 0 0 0 0 0 0 0999 V2000 9.3937 -3.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.6600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -0.6447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 -0.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 0.8553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9104 -2.1166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3043 -1.3118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 0.8553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 1.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8352 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8352 -0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -0.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8992 -2.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 3.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 2.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3992 -3.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 4.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9924 -3.9992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 4.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7356 -4.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6016 -4.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 1.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5989 2.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 1.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5793 1.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6964 -1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 2.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 1.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 0.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 4.9236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 4.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 -4.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 5.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 -5.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1680 -4.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 5 15 2 0 0 0 0 6 13 2 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 8 15 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 31 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$