RDKit 3D 52 54 0 0 0 0 0 0 0 0999 V2000 4.4593 3.8900 -0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 3.0879 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 3.6423 -0.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 1.7053 -0.7356 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0405 0.9789 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3168 -0.4819 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 -1.0145 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 -2.5184 -1.1264 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4969 -3.1635 -0.9219 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3105 -2.7009 -0.0021 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8983 -2.4946 1.2206 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 -3.9011 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 -3.8371 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2092 -2.6396 1.3665 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 -1.3938 0.6778 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8945 -1.1909 0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -0.0449 0.5510 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6427 -0.4550 1.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8413 0.1247 0.9997 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0696 1.4284 1.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 1.9083 1.4111 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1052 0.2223 -0.4730 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9903 -1.0538 -1.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 1.1210 -1.0771 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5196 2.4478 -0.8687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 0.9121 -0.5523 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1900 2.1817 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.5509 -0.3837 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2980 3.7337 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7699 3.7283 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 4.9602 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 1.2746 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 1.2033 0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3495 -0.5054 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8587 -2.8321 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -2.8262 -0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0283 -3.3783 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7348 -4.7484 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3266 -4.6628 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5485 -0.5891 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 0.3860 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6326 -0.5768 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1114 1.1853 2.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 2.1582 1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3683 2.8980 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1059 0.6366 -0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6764 -1.6750 -0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 0.9857 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4047 2.5514 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 0.6235 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5288 2.1064 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 -1.8467 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 1 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 15 28 1 0 28 6 1 0 28 10 1 0 26 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 5 33 1 0 7 34 1 0 8 35 1 6 9 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 15 40 1 1 17 41 1 1 19 42 1 1 20 43 1 0 20 44 1 0 21 45 1 0 22 46 1 1 23 47 1 0 24 48 1 6 25 49 1 0 26 50 1 6 27 51 1 0 28 52 1 6 M END