3085372 -OEChem-03192402503D 17 17 0 0 0 0 0 0 0999 V2000 0.6461 1.0930 0.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 -2.3212 -0.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 1.3626 -0.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 -0.0482 0.3299 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8407 -0.7149 -0.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8164 0.5854 -0.1905 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5711 0.1546 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4177 0.4118 -0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 -1.1625 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 0.6395 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 -0.7606 1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6345 0.9833 1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 1.3115 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 -0.4227 -1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -1.3043 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1603 -0.2611 0.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3765 0.7072 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > 3085372 > 0.4 > 1 11 10 3 4 12 5 7 8 6 9 2 > 13 1 -0.19 10 0.78 15 0.37 16 0.36 17 0.36 2 -0.57 3 -0.57 4 -0.32 5 -0.49 6 -0.99 7 0.3 8 0.27 9 0.69 > 2 > 6 1 2 acceptor 1 3 acceptor 1 5 donor 1 6 cation 1 6 donor 5 1 4 5 9 10 rings > 10 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 002F143C00000001 > 8.1335 > 30.446 > 1 1 18408884005783652670 12897270 3 18411136914041603141 14325111 11 18409729590481334033 14390081 3 18333449824769892485 20645477 70 18268986493605801007 21040471 1 18339644559127062602 23235685 24 18409444816896107897 23402655 69 18341322311256408437 23552423 10 18125725586892809507 > 173.24 4.36 1.58 0.68 3.16 0.86 0.02 -2.03 -0.66 -0.81 -0.06 0.18 -0.03 0.05 > 346.668 > 103.6 > 2 5 10 $$$$