@MOLECULE methyl (2e)-4-{[(3-chloro-4-hydroxyphenyl)acetyl]amino}-4-oxo-2-butenoate 32 32 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.5663 2.3885 0.6149 Cl 1 UNL1111 -0.0348 2 O -5.1684 0.9296 -1.7750 O.3 1 UNL1111 -0.4349 3 O 0.0040 -3.0494 0.2752 O.2 1 UNL1111 -0.4229 4 O 2.2120 -2.0370 -0.7714 O.2 1 UNL1111 -0.3951 5 O 6.3971 0.6335 -0.5098 O.3 1 UNL1111 -0.3878 6 O 4.9595 2.0979 0.4170 O.2 1 UNL1111 -0.4857 7 N 0.7955 -0.9319 0.6540 N.am 1 UNL1111 -0.6545 8 C -2.3922 -0.9267 0.6587 C.ar 1 UNL1111 -0.0519 9 C -1.4013 -1.5930 1.5582 C.3 1 UNL1111 -0.3724 10 C -2.9524 0.3008 1.0205 C.ar 1 UNL1111 -0.1291 11 C -2.7720 -1.5470 -0.5361 C.ar 1 UNL1111 -0.0873 12 C -0.1592 -1.9658 0.7661 C.2 1 UNL1111 0.5938 13 C -3.8819 0.8960 0.1810 C.ar 1 UNL1111 -0.0882 14 C -3.7022 -0.9522 -1.3806 C.ar 1 UNL1111 -0.2759 15 C -4.2574 0.2771 -1.0156 C.ar 1 UNL1111 0.2605 16 C 1.9846 -1.0692 -0.0943 C.2 1 UNL1111 0.5689 17 C 2.9270 0.0770 0.0426 C.2 1 UNL1111 -0.2022 18 C 4.2281 -0.1151 -0.1871 C.2 1 UNL1111 -0.1642 19 C 5.1803 1.0064 -0.0428 C.2 1 UNL1111 0.5768 20 C 7.4262 1.6160 -0.4274 C.3 1 UNL1111 -0.1719 21 H -1.8444 -2.5299 1.9778 H 1 UNL1111 0.1961 22 H -1.1551 -0.9775 2.4456 H 1 UNL1111 0.1701 23 H -2.6685 0.7847 1.9560 H 1 UNL1111 0.1697 24 H -2.3284 -2.5100 -0.8109 H 1 UNL1111 0.1800 25 H -3.9907 -1.4366 -2.3096 H 1 UNL1111 0.1713 26 H 0.5965 -0.0416 1.0991 H 1 UNL1111 0.3186 27 H 2.5151 1.0486 0.3231 H 1 UNL1111 0.1839 28 H -5.3845 0.4309 -2.6040 H 1 UNL1111 0.3303 29 H 4.6516 -1.0813 -0.4880 H 1 UNL1111 0.2028 30 H 7.1336 2.5250 -0.9639 H 1 UNL1111 0.1437 31 H 8.2751 1.1202 -0.9137 H 1 UNL1111 0.1511 32 H 7.6426 1.8441 0.6215 H 1 UNL1111 0.1411 @BOND 1 1 13 1 2 2 15 1 3 2 28 1 4 3 12 2 5 4 16 2 6 5 19 1 7 5 20 1 8 6 19 2 9 7 12 am 10 7 16 am 11 7 26 1 12 8 9 1 13 8 10 ar 14 8 11 ar 15 9 12 1 16 9 21 1 17 9 22 1 18 10 13 ar 19 10 23 1 20 11 14 ar 21 11 24 1 22 13 15 ar 23 14 15 ar 24 14 25 1 25 16 17 1 26 17 18 2 27 17 27 1 28 18 19 1 29 18 29 1 30 20 30 1 31 20 31 1 32 20 32 1