RDKit 3D 62 65 0 0 0 0 0 0 0 0999 V2000 4.4569 0.9490 3.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 1.7522 1.9666 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 3.0797 2.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9263 3.5478 1.0388 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 2.4990 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 1.3462 0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -0.0461 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 -0.9228 0.1829 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9522 -0.2105 -0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1599 -0.5737 -1.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5997 0.5183 0.3919 O 0 0 0 0 0 1 0 0 0 0 0 0 4.3704 -2.1376 -0.6958 N 0 0 0 0 0 4 0 0 0 0 0 0 2.2216 2.6898 -1.4367 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 2.5997 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2565 3.7945 -0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 3.8000 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 2.5906 -0.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 1.3545 -0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 1.3720 -1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4857 0.0746 -1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2697 -1.1814 -1.6603 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6295 -1.1904 -1.0002 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4500 0.0556 -0.9015 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2655 -0.0636 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2387 -1.2235 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4592 -1.0999 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3549 -2.1691 -0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0289 -3.3637 0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8276 -3.5023 0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9337 -2.4322 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8743 -4.4331 0.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6409 -2.3044 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -2.9515 -0.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -2.3514 -1.3333 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7005 2.6017 -0.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3732 5.0042 -0.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 0.1044 3.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 0.6124 2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 1.5447 3.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 3.6502 2.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 -0.6044 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1631 0.0284 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9126 -1.3229 1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 -2.2860 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8351 -1.8761 -1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 -3.0006 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 4.7506 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 0.1802 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 -0.0549 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -1.2988 -2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 -1.9709 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3891 -1.5825 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 0.0171 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5793 -0.1663 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8433 0.8371 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7265 -0.1659 -0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2934 -2.0535 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5924 -4.4425 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0053 -2.5586 1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7208 -4.1516 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0059 3.5161 -0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 4.8219 -0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 1 0 5 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 28 31 1 0 21 32 1 0 32 33 2 0 32 34 1 0 17 35 1 0 15 36 1 0 6 2 1 0 19 14 1 0 23 18 1 0 30 25 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 7 41 1 0 7 42 1 0 8 43 1 1 12 44 1 0 12 45 1 0 12 46 1 0 16 47 1 0 20 48 1 0 20 49 1 0 21 50 1 6 22 51 1 0 22 52 1 0 23 53 1 6 24 54 1 0 24 55 1 0 26 56 1 0 27 57 1 0 29 58 1 0 30 59 1 0 31 60 1 0 35 61 1 0 36 62 1 0 M CHG 4 11 -1 12 1 22 1 34 -1 M END