RDKit 3D 49 50 0 0 0 0 0 0 0 0999 V2000 4.9976 2.2099 1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 1.0184 1.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4488 -0.0722 2.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7521 0.3925 2.0757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 0.8021 1.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 1.7634 1.3414 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5268 -0.4547 1.9444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 -0.5934 1.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -0.2862 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 0.6927 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 1.1580 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 1.0434 -0.7449 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9624 2.3422 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 3.4807 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6418 2.0881 -2.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4558 2.8719 -2.9688 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 0.8198 -2.8266 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0002 0.0699 -1.6421 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2482 -1.1992 -1.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 -1.9514 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3805 -2.1542 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2933 -2.8434 -0.5957 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 -2.4528 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 -2.3127 -0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 -1.0851 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0691 2.3827 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 3.0398 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 -0.8693 1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2017 -0.5182 3.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1550 0.3327 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 -1.6286 2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 0.0774 2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5646 1.2571 1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 2.2480 -1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4818 0.6845 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6416 0.8757 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 3.5770 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3745 4.3914 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0023 -0.1866 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 -1.8062 -2.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3178 -1.0678 -2.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1363 -2.7234 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8121 -1.1917 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 -3.7786 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9853 -2.9878 0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8918 -3.2509 -0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1581 -2.3714 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -0.4037 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 -1.4297 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 3 2 1 0 2 1 2 3 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 23 24 1 0 24 25 1 0 18 17 1 0 17 15 1 0 15 16 2 0 15 13 1 0 13 14 2 3 25 9 1 0 13 12 1 0 4 30 1 0 3 28 1 0 3 29 1 0 1 26 1 0 1 27 1 0 8 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 1 18 39 1 1 19 40 1 0 19 41 1 0 21 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 24 46 1 0 24 47 1 0 25 48 1 0 25 49 1 0 14 37 1 0 14 38 1 0 M END