654 -OEChem-09042100263D 20 19 0 0 0 0 0 0 0999 V2000 0.0173 -1.0538 0.0603 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 -0.0895 0.5113 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -0.0473 -0.4723 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5129 -1.7551 -1.2987 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4729 -2.0235 1.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 0.8691 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 0.8165 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 1.6275 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8277 1.6561 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 1.5619 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 0.3595 -1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 1.4607 0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2743 0.2162 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2712 2.3757 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6383 0.9421 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 2.1305 1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.3337 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5766 1.0179 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 2.2476 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 -2.5189 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 20 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END > 654 > 0.6 > 1 11 5 16 15 2 14 17 18 9 8 19 4 3 6 10 7 12 13 > 8 1 1.51 2 -0.55 20 0.5 3 -0.55 4 -0.77 5 -0.7 6 0.28 7 0.28 > 4 > 2 1 4 acceptor 1 5 acceptor > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000028E00000001 > -12.2535 > 10.159 > 14390081 3 18340207397432972361 170605 34 18340210687372451441 18342897 96 18339360880558069524 20653085 51 18271254892834945772 21040471 1 18342172288919701872 21524375 3 18411417314870587152 23211744 41 18337971033546690963 23552449 1 17689716780480993240 23552449 11 17903074435081538569 54338 74 17756127243985916852 > 165.59 3.64 2.22 0.95 0.01 0.6 -0.07 -3.52 0.05 -0.05 0.06 0.02 0.43 -0.35 > 283.635 > 111.4 > 2 5 10 $$$$