RDKit 3D 45 48 0 0 0 0 0 0 0 0999 V2000 4.6704 2.1933 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 1.4952 0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 2.1223 0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 1.3552 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 1.5402 2.0945 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7192 0.3788 0.0413 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3364 1.0509 -0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 0.2903 -0.5639 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3847 0.7373 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 0.1183 0.4883 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 0.9659 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 -1.2108 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1916 -1.8207 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0843 -1.1047 -0.2686 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1371 -0.8813 0.5532 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1027 -2.0105 0.2293 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3739 -3.1939 0.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -1.5393 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9155 -0.0420 -0.7676 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1769 0.0640 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6697 2.8506 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 2.7006 1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 1.3890 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 3.1667 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 2.1316 -0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 0.9143 -1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 0.2859 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 0.2968 1.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 1.8155 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8973 1.7944 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3679 0.4632 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 1.4727 -1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3031 -1.8900 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5406 -1.2859 -1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0996 -1.7848 1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1977 -2.8734 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 -1.5736 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -0.9020 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 -2.1382 1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -3.3067 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7235 -2.0162 -1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 -1.7243 -1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0257 0.5255 -1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 -0.4451 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0483 -0.3752 -0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 11 10 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 8 1 0 8 7 1 0 6 7 1 6 6 19 1 0 19 18 1 0 18 16 1 0 16 17 1 0 16 15 1 0 19 20 1 0 20 2 1 0 2 1 1 0 2 3 2 0 3 4 1 0 4 5 2 0 8 9 1 0 9 10 1 0 15 14 1 0 15 6 1 0 6 4 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 14 37 1 6 8 27 1 6 7 25 1 0 7 26 1 0 19 43 1 6 18 41 1 0 18 42 1 0 16 39 1 1 17 40 1 0 15 38 1 1 20 44 1 0 20 45 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 9 28 1 0 9 29 1 0 M END