74073 -OEChem-12282221153D 19 20 0 0 0 0 0 0 0999 V2000 -1.0321 -1.0790 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2425 -1.4783 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2226 -0.6102 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -0.2032 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 1.6595 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 1.1663 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7896 1.2361 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.7911 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 0.3319 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 -1.0065 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 2.7352 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7656 1.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 2.3016 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9887 -0.4721 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 -0.4765 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 -1.8854 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 0.6633 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 -1.7681 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 4 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 M END > 74073 > 0.4 > 1 > 15 1 -0.62 10 -0.15 11 0.16 12 0.15 13 0.15 14 0.15 18 0.15 19 0.15 2 -0.62 4 0.62 5 0.17 6 -0.15 7 -0.15 8 -0.15 9 0.14 > 0 > 4 1 1 acceptor 1 2 acceptor 6 1 3 4 5 6 7 rings 6 2 3 4 8 10 11 rings > 11 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0001215900000001 > 32.4524 > 20.383 > 10857977 72 18411127048106059553 11206711 2 18335985276723514597 11471102 20 18410288134067302685 12032990 46 18409737282783799819 12897270 3 18409729555931691701 12932764 1 17346589785713823316 14128692 85 18412268311211146580 14325111 11 18410855451543781280 16945 1 18410574019569302724 17844478 74 18113626689874255257 193761 8 17834395622869128131 19973954 147 18339362955043052020 20201158 50 18335419084233360171 21040471 1 18410575076421407872 21501502 16 18338238154579245952 23402655 69 18267848512066958661 23463225 33 18408604746983439424 23552423 10 18261115136326217350 23559900 14 17406273232077644318 241688 4 18263364694119819856 2748010 2 18339078168540950876 369184 2 18341611494939597377 5084963 1 18342457032255683680 528886 8 18339637953187897010 > 216.41 4.4 1.64 0.6 1.06 0.2 0 -0.91 0 -0.07 0 0 0.02 0 > 473.627 > 117.3 > 2 5 10 $$$$