736152 -OEChem-03292410253D 19 18 0 1 0 0 0 0 0999 V2000 -2.1618 -1.8457 0.3632 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 1.2142 0.9582 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 0.3986 0.6677 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1005 -1.4219 0.0585 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 0.2169 -0.9425 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1816 -0.1856 -0.3898 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8712 0.5022 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 0.5968 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.7404 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -0.2159 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 -0.2977 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 -0.4069 -1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 1.7137 -0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9176 0.8444 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3702 0.7157 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 1.6041 -0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3247 0.1102 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 -1.4414 1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 -0.2371 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 7 2 0 0 0 0 3 10 1 0 0 0 0 3 19 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 M END > 736152 > 0.6 > 1 2 22 10 19 14 21 17 6 7 20 8 9 13 15 12 3 16 5 11 4 18 > 12 1 -0.41 10 0.66 12 0.37 18 0.18 19 0.5 2 -0.57 3 -0.65 4 -0.57 5 -0.73 6 0.29 7 0.57 9 0.36 > 4 > 5 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 donor 3 3 4 10 anion > 10 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 000B3B9800000001 > 12.9046 > 25.429 > 10857977 72 17560802173107936749 11062470 55 18060416906853297725 12932764 1 17240761800125043445 14390081 3 10952051143315702447 20201158 50 18409164428467079835 20711983 171 10159434110289427475 23235687 12 17748825254084745895 23402539 116 18339068329646783757 23552423 10 18041285490350122663 3248919 1 18335983142240630917 369184 2 18202280277845759485 75552 356 18411419544000681895 > 187.06 5.12 1.46 0.87 0.84 0.73 -0.01 0.36 -0.66 -0.63 -0.15 0.1 -0.16 -0.06 > 344.393 > 119.7 > 2 5 10 $$$$