19233 -OEChem-03292401093D 23 22 0 1 0 0 0 0 0999 V2000 1.0816 1.4322 0.9631 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2307 -1.1377 1.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3552 -1.3416 -1.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 1.2126 -1.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7258 -0.4352 -0.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 0.4266 -0.0494 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2980 -0.3965 0.1223 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3135 -0.3753 -0.0279 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5616 0.4800 0.1263 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5474 0.5063 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 -0.3714 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9356 0.9514 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 -1.1199 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 -0.9195 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 1.1872 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 1.2076 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -0.1080 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 1.0771 -1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 0.9798 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -1.8747 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -0.9251 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 -0.8690 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 0.5831 -1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 21 1 0 0 0 0 M END > 19233 > 0.6 > 1 10 4 16 15 9 2 13 3 17 5 11 8 6 7 12 14 > 15 1 -0.68 11 0.45 19 0.4 2 -0.68 20 0.4 21 0.06 22 0.4 23 0.4 3 -0.68 4 -0.68 5 -0.57 6 0.28 7 0.28 8 0.28 9 0.34 > 4 > 9 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor > 11 > 4 > 0 > 0 > 0 > 0 > 1 > 10 > 00004B2100000001 > 17.7165 > 45.686 > 11062470 55 16272211894342565626 12897270 3 17894347770163478839 12932764 1 18343008999993475255 14325111 11 18040714736245874048 15310529 11 17489870410162487605 15477762 27 18060700619164993942 16945 1 17604163561506382818 20201158 50 18412268345750336882 20645477 70 18130788893652396359 21293036 1 17894631482617658213 23235685 24 17313098670395949139 23402539 116 17967802890593120774 29004967 10 17989489593541167250 5084963 1 18333733515717521809 > 197.03 5.38 1.19 0.98 0.63 0.06 -0.05 -0.33 1.06 -0.25 0 -0.01 -0.06 0.51 > 371.115 > 121.8 > 2 5 10 $$$$