@MOLECULE (2e)-2-cyano-3-(4-hydroxy-3,5-diisopropylphenyl)acrylamide 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6044 0.7680 0.1417 O.3 1 UNL1111111111 -0.4644 2 O 4.1955 -1.9476 -0.9052 O.2 1 UNL1111111111 -0.5300 3 N 5.2190 -0.3261 0.2604 N.am 1 UNL1111111111 -0.6780 4 N 2.6963 1.8484 1.4266 N.1 1 UNL1111111111 -0.2594 5 C -3.1028 -2.0967 0.2891 C.3 1 UNL1111111111 -0.0467 6 C -1.7289 2.7432 -0.2710 C.3 1 UNL1111111111 -0.0574 7 C -2.0324 -1.0677 0.0528 C.ar 1 UNL1111111111 -0.1595 8 C -1.3638 1.2853 -0.2273 C.ar 1 UNL1111111111 -0.0895 9 C -2.3411 0.3002 -0.0050 C.ar 1 UNL1111111111 0.2602 10 C -0.7049 -1.4462 -0.1205 C.ar 1 UNL1111111111 -0.0759 11 C -0.0479 0.8700 -0.3866 C.ar 1 UNL1111111111 -0.0847 12 C 0.2930 -0.4863 -0.3225 C.ar 1 UNL1111111111 -0.1478 13 C -2.8245 -2.8617 1.5892 C.3 1 UNL1111111111 -0.4477 14 C -3.1888 -3.0573 -0.9040 C.3 1 UNL1111111111 -0.4481 15 C -1.3030 3.3599 -1.6102 C.3 1 UNL1111111111 -0.4465 16 C -1.0647 3.4753 0.9027 C.3 1 UNL1111111111 -0.4485 17 C 1.6672 -0.9305 -0.4704 C.2 1 UNL1111111111 0.0660 18 C 2.7611 -0.3060 0.0223 C.2 1 UNL1111111111 -0.2267 19 C 4.0885 -0.9281 -0.2490 C.2 1 UNL1111111111 0.6086 20 C 2.7174 0.8791 0.7915 C.1 1 UNL1111111111 0.1390 21 H -4.1043 -1.5965 0.3958 H 1 UNL1111111111 0.1163 22 H -2.8408 2.8592 -0.1727 H 1 UNL1111111111 0.1581 23 H -0.4393 -2.5048 -0.0860 H 1 UNL1111111111 0.1615 24 H 0.7260 1.6179 -0.5753 H 1 UNL1111111111 0.1686 25 H -1.8919 -3.4343 1.5318 H 1 UNL1111111111 0.1516 26 H -3.6292 -3.5697 1.8145 H 1 UNL1111111111 0.1465 27 H -2.7322 -2.1774 2.4413 H 1 UNL1111111111 0.1522 28 H -3.3427 -2.5128 -1.8431 H 1 UNL1111111111 0.1507 29 H -4.0185 -3.7628 -0.7871 H 1 UNL1111111111 0.1463 30 H -2.2725 -3.6475 -1.0173 H 1 UNL1111111111 0.1514 31 H -0.2148 3.3626 -1.7314 H 1 UNL1111111111 0.1450 32 H -1.6440 4.3980 -1.6887 H 1 UNL1111111111 0.1467 33 H -1.7301 2.8050 -2.4531 H 1 UNL1111111111 0.1466 34 H -1.3651 3.0381 1.8620 H 1 UNL1111111111 0.1495 35 H -1.3433 4.5340 0.9169 H 1 UNL1111111111 0.1464 36 H 0.0297 3.4231 0.8532 H 1 UNL1111111111 0.1541 37 H 1.8022 -1.8772 -1.0292 H 1 UNL1111111111 0.1895 38 H -4.2613 0.0364 0.3011 H 1 UNL1111111111 0.3286 39 H 5.2040 0.5054 0.8086 H 1 UNL1111111111 0.3109 40 H 6.1155 -0.7377 0.0843 H 1 UNL1111111111 0.3165 @BOND 1 1 9 1 2 1 38 1 3 2 19 2 4 3 19 am 5 3 39 1 6 3 40 1 7 4 20 3 8 5 7 1 9 5 13 1 10 5 14 1 11 5 21 1 12 6 8 1 13 6 15 1 14 6 16 1 15 6 22 1 16 7 9 ar 17 7 10 ar 18 8 9 ar 19 8 11 ar 20 10 12 ar 21 10 23 1 22 11 12 ar 23 11 24 1 24 12 17 1 25 13 25 1 26 13 26 1 27 13 27 1 28 14 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1 34 16 34 1 35 16 35 1 36 16 36 1 37 17 18 2 38 17 37 1 39 18 19 1 40 18 20 1