RDKit 3D 45 46 0 0 0 0 0 0 0 0999 V2000 4.8813 1.9638 -1.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 1.4239 -1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 1.7509 -2.2821 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0406 0.5690 -0.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.0226 -0.3653 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7217 -1.4727 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 -2.2770 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 -2.2484 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 -3.3373 1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -1.3266 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -0.7106 -1.0204 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5834 -1.1120 -1.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 -0.4525 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7797 -0.8213 -0.7927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0053 0.8107 -0.4344 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7923 2.0157 -0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6223 0.7696 -1.0417 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6409 1.6720 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 1.2405 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 0.4787 0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6698 0.0866 2.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 1.9299 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4594 1.3720 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8185 3.0245 -0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 0.4510 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 -1.7323 -1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8338 -1.7469 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5012 -3.1241 0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 -2.9049 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -3.7137 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2805 -4.1309 1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -1.8839 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5944 -0.5443 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5804 -1.0393 -1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 0.8073 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 2.8185 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4791 2.3919 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8657 1.7168 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 1.0539 -2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 2.6217 -0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 2.0616 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4059 1.5456 1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 0.9065 2.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 -0.1144 2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 -0.8120 2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 16 15 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 13 15 1 0 11 17 1 0 16 36 1 0 16 37 1 0 16 38 1 0 15 35 1 1 17 39 1 6 18 40 1 0 18 41 1 0 19 42 1 0 21 43 1 0 21 44 1 0 21 45 1 0 5 25 1 6 6 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 6 1 22 1 0 1 23 1 0 1 24 1 0 M END