Ketcher 10031610052D 1 1.00000 0.00000 0 56 55 0 1 0 999 V2000 21.1535 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2908 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4276 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6521 -4.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6546 -4.7611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0167 -3.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8796 -3.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7509 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7509 -6.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8879 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7604 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8099 -2.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0188 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1492 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2793 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4097 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5398 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6702 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8004 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9305 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0609 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1909 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3214 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4514 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5817 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8422 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9727 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1027 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2331 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 -5.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 -4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5576 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6877 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8181 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9484 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0786 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2087 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3391 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4693 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5996 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7299 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1205 -3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2509 -3.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6148 -3.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4826 -3.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3500 -3.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2178 -3.3954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0856 -3.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2178 -2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0856 -2.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7466 -3.3964 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.7456 -2.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0060 -4.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 5 1 6 0 0 1 4 1 1 0 0 6 1 1 0 0 0 7 6 1 0 0 0 8 9 2 0 0 0 8 10 1 0 0 0 8 5 1 0 0 0 2 11 1 1 0 0 2 12 1 6 0 0 10 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 3 33 2 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 48 47 1 0 0 0 49 48 1 0 0 0 50 49 1 0 0 0 51 50 1 0 0 0 50 52 1 0 0 0 50 53 1 0 0 0 7 54 1 0 0 0 54 47 1 0 0 0 54 55 2 0 0 0 54 56 1 0 0 0 M CHG 2 50 1 56 -1 M END