RDKit 3D 46 50 0 0 0 0 0 0 0 0999 V2000 -4.6996 -0.6387 1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -1.3819 1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 -0.8130 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 0.5034 0.0176 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0922 1.2792 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 2.4295 0.2226 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9296 0.6281 1.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 1.1296 -1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 0.2393 -1.7817 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6526 -1.2208 -1.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -1.5668 -0.2131 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3831 -1.1916 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 -0.7777 -0.4311 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 0.3530 -1.3480 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7486 1.6829 -0.7697 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2674 1.6684 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 0.3918 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 -0.7587 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 -1.9238 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 -1.9519 1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5951 -0.7973 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 0.3712 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 -0.8186 1.6303 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6441 0.2124 1.5322 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3644 -1.8716 2.1508 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5281 2.8892 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 2.6336 -2.8773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 4.0117 -1.1256 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3062 -1.1236 2.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -2.4060 1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 1.2302 2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8062 2.0404 -0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9666 1.4790 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 0.5412 -2.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 -1.8719 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 -1.3628 -2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8595 -2.6479 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0797 -2.0721 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5341 -0.3904 1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8587 0.1600 -2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 1.8606 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5745 2.5169 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7729 1.7803 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9325 -2.8426 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -2.8777 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6869 1.2756 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 23 25 1 0 15 26 1 0 26 27 2 0 26 28 1 0 7 1 2 0 11 3 1 0 14 9 1 0 18 13 1 0 22 17 1 0 1 29 1 0 2 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 6 10 35 1 0 10 36 1 0 11 37 1 6 12 38 1 0 12 39 1 0 14 40 1 6 15 41 1 1 16 42 1 0 16 43 1 0 19 44 1 0 20 45 1 0 22 46 1 0 M CHG 3 23 1 25 -1 28 -1 M END