RDKit 2D 45 47 0 0 0 0 0 0 0 0999 V2000 2.8980 4.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 3.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2683 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -1.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 1.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0323 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3907 1.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5054 2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 2.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3038 -1.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 6.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 5.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8010 3.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 2.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 -2.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2299 0.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7675 -1.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2532 -2.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 -0.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 2.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1337 2.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 -2.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -0.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8003 0.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 3.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 1.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 3.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5267 3.3472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2257 3.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 1.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 -2.8825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 -3.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 1 8 10 1 0 10 11 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 16 15 1 0 15 14 1 0 14 12 1 0 12 13 2 0 15 20 1 0 20 21 1 0 10 3 1 0 12 11 1 0 20 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 6 4 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 9 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 1 16 36 1 1 17 37 1 0 18 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 19 43 1 0 15 35 1 6 20 44 1 1 21 45 1 0 M END