Ketcher 12121916382D 1 1.00000 0.00000 0 45 48 0 1 0 999 V2000 11.0742 -20.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 -19.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1936 -20.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 -20.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2227 -18.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0582 -19.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5385 -20.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3222 -20.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6472 -19.9640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3282 -21.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3347 -19.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 -18.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1810 -18.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2072 -22.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1158 -21.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0325 -18.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6451 -19.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1440 -19.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1418 -19.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6407 -18.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6386 -18.2357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1375 -17.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1375 -19.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1353 -17.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1353 -19.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6342 -18.2357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6320 -18.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1310 -17.3715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1310 -19.0998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1288 -17.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1288 -19.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6277 -18.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2598 -21.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3955 -21.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1238 -21.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9880 -22.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9880 -21.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8522 -23.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5314 -21.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5314 -22.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6672 -23.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3955 -23.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1238 -23.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2598 -22.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2598 -23.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 7 1 1 0 0 6 9 1 0 0 0 8 11 1 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 1 0 0 3 8 1 0 0 0 4 9 1 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 6 12 2 0 0 0 5 13 1 0 0 0 3 14 1 0 0 0 1 15 1 6 0 0 2 16 1 6 0 0 28 30 1 0 0 0 29 31 2 0 0 0 30 32 2 0 0 0 25 26 1 0 0 0 31 32 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 21 23 1 0 0 0 22 24 1 0 0 0 23 25 1 0 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 27 29 1 0 0 0 17 9 1 0 0 0 36 43 1 0 0 0 34 33 2 0 0 0 35 33 1 0 0 0 37 36 2 0 0 0 38 36 1 0 0 0 40 39 2 0 0 0 42 40 1 0 0 0 40 41 1 0 0 0 44 42 1 0 0 0 43 44 1 0 0 0 33 44 1 0 0 0 44 45 1 0 0 0 M END