439925 -OEChem-03282416363D 23 22 0 1 0 0 0 0 0999 V2000 2.0524 -1.8351 0.5046 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 1.3457 -0.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9188 -0.6537 -1.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 1.6349 0.3001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 -0.7513 0.2016 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 0.9258 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8116 0.5414 0.5868 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6301 -0.1673 0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 0.2519 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -0.6786 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 -0.6137 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4219 1.1441 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0916 1.8507 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 0.3452 1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -0.4182 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 -1.0753 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 2.4754 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 1.8679 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -1.6140 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7303 -1.5768 -0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5213 0.1557 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -0.3410 0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 -2.6205 0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 23 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 17 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 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 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 M END > 439925 > 0.6 > 1 45 15 33 36 38 26 12 17 44 21 19 27 14 42 5 24 7 6 10 35 16 43 34 25 2 30 9 11 41 37 39 23 4 32 13 31 40 18 3 29 22 28 8 20 > 14 1 -0.65 10 0.66 11 0.3 17 0.36 18 0.36 19 0.37 2 -0.57 23 0.5 3 -0.57 4 -0.99 5 -0.73 7 0.33 8 0.06 9 0.57 > 5 > 7 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 4 donor 1 5 donor 3 1 3 10 anion > 11 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 0006B67500000001 > 7.6381 > 35.58 > 12932764 1 18335425625484220337 14252887 29 17846223258454244298 14325111 11 18411416215759645729 15310529 11 18343014510616033037 177051 138 17847063289801540135 20201158 50 18335701662853090339 20279233 1 18187081793102870571 20281407 28 18335143115810775067 20645477 70 18272649047957017783 20871998 22 17987522511652641910 22485316 2 18343014536860512551 23552423 10 18335140873236563697 3248919 1 17632291238035291649 58051976 378 18267301108982362828 581208 293 18340198699833605931 8030462 33 17530683182363588961 > 198.8 6.53 1.46 0.79 5.2 0 -0.1 1.24 -0.66 -0.86 0.07 -0.36 0.07 0.37 > 375.251 > 122.8 > 2 5 10 $$$$