@MOLECULE (5z)-n-ethyl-5-(4-hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-ylidene)-4-[4-(4-morpholinylmethyl)phenyl]-2,5-dihydro-1,2-oxazole-3-carboxamide 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.3139 -1.0668 -0.5779 O.3 1 UNL1111111111 -0.3874 2 O 3.8438 1.3764 -0.4622 O.2 1 UNL1111111111 0.0441 3 O -0.9075 5.4439 0.3685 O.2 1 UNL1111111111 -0.4695 4 O 3.4069 3.7540 -0.4495 O.2 1 UNL1111111111 -0.5158 5 O 3.9292 -2.8852 -1.5616 O.2 1 UNL1111111111 -0.4830 6 N -3.8077 -2.3362 -0.1982 N.3 1 UNL1111111111 -0.4028 7 N 4.5136 0.1139 -0.4467 N.ar 1 UNL1111111111 -0.3200 8 N 4.0908 -2.9384 0.7119 N.am 1 UNL1111111111 -0.5624 9 C -4.0070 -0.9087 0.1524 C.3 1 UNL1111111111 -0.1661 10 C -5.0828 -3.0825 -0.0267 C.3 1 UNL1111111111 -0.1663 11 C -2.7453 -2.9390 0.6521 C.3 1 UNL1111111111 -0.1441 12 C -5.1166 -0.3291 -0.7402 C.3 1 UNL1111111111 -0.0440 13 C -6.1459 -2.4269 -0.9286 C.3 1 UNL1111111111 -0.0421 14 C -1.4241 -2.2498 0.4218 C.ar 1 UNL1111111111 0.0090 15 C 2.2898 -0.3069 -0.2009 C.ar 1 UNL1111111111 -0.1503 16 C 1.0283 -0.9896 0.0151 C.ar 1 UNL1111111111 -0.0207 17 C -0.6671 -1.8239 1.5158 C.ar 1 UNL1111111111 -0.1824 18 C -0.9433 -2.0584 -0.8759 C.ar 1 UNL1111111111 -0.1432 19 C 2.4972 1.1393 -0.2498 C.ar 1 UNL1111111111 0.2408 20 C -2.0656 2.8949 0.4653 C.3 1 UNL1111111111 -0.0318 21 C 1.6654 2.2108 -0.1275 C.2 1 UNL1111111111 -0.3200 22 C -0.5949 3.1053 0.2464 C.2 1 UNL1111111111 -0.1231 23 C 0.5569 -1.1934 1.3142 C.ar 1 UNL1111111111 -0.1372 24 C 0.2809 -1.4301 -1.0814 C.ar 1 UNL1111111111 -0.1256 25 C 3.5152 -0.8745 -0.3960 C.ar 1 UNL1111111111 0.0347 26 C 0.2504 2.0557 0.0896 C.2 1 UNL1111111111 -0.0677 27 C -0.0216 4.4361 0.1891 C.2 1 UNL1111111111 0.3752 28 C 2.2240 3.5767 -0.2207 C.2 1 UNL1111111111 0.5286 29 C -2.4994 3.4605 1.8247 C.3 1 UNL1111111111 -0.4490 30 C -2.8784 3.5207 -0.6772 C.3 1 UNL1111111111 -0.4474 31 C 1.2946 4.6766 -0.0290 C.2 1 UNL1111111111 -0.5029 32 C 3.8534 -2.3242 -0.4898 C.2 1 UNL1111111111 0.5680 33 C 4.2476 -4.3968 0.7732 C.3 1 UNL1111111111 -0.0429 34 C 2.9086 -5.0721 1.0835 C.3 1 UNL1111111111 -0.4739 35 H -3.0517 -0.3693 -0.0383 H 1 UNL1111111111 0.1544 36 H -4.2639 -0.7625 1.2217 H 1 UNL1111111111 0.1267 37 H -5.4368 -3.0943 1.0254 H 1 UNL1111111111 0.1268 38 H -4.9230 -4.1361 -0.3386 H 1 UNL1111111111 0.1419 39 H -2.6457 -4.0119 0.3585 H 1 UNL1111111111 0.1538 40 H -3.0107 -2.9406 1.7310 H 1 UNL1111111111 0.1246 41 H -4.8240 -0.3289 -1.8047 H 1 UNL1111111111 0.1315 42 H -5.4071 0.6896 -0.4281 H 1 UNL1111111111 0.1402 43 H -7.1503 -2.8532 -0.7635 H 1 UNL1111111111 0.1365 44 H -5.8735 -2.5030 -1.9966 H 1 UNL1111111111 0.1314 45 H -1.0349 -1.9733 2.5289 H 1 UNL1111111111 0.1537 46 H -1.5449 -2.3918 -1.7240 H 1 UNL1111111111 0.1759 47 H -2.2808 1.7936 0.4722 H 1 UNL1111111111 0.1267 48 H 1.1402 -0.8465 2.1656 H 1 UNL1111111111 0.1581 49 H 0.6557 -1.2772 -2.0948 H 1 UNL1111111111 0.1674 50 H -0.1421 1.0359 0.1194 H 1 UNL1111111111 0.1662 51 H 5.1780 0.1244 -1.2160 H 1 UNL1111111111 0.3134 52 H -2.3865 4.5511 1.8616 H 1 UNL1111111111 0.1585 53 H -1.8958 3.0427 2.6372 H 1 UNL1111111111 0.1427 54 H -3.5499 3.2346 2.0316 H 1 UNL1111111111 0.1399 55 H -2.5619 3.1262 -1.6488 H 1 UNL1111111111 0.1450 56 H -2.7526 4.6101 -0.7102 H 1 UNL1111111111 0.1584 57 H -3.9480 3.3212 -0.5599 H 1 UNL1111111111 0.1389 58 H 1.7193 5.6724 -0.0767 H 1 UNL1111111111 0.1859 59 H 3.9647 -2.4512 1.5856 H 1 UNL1111111111 0.3177 60 H -0.4709 6.3326 0.3187 H 1 UNL1111111111 0.3294 61 H 5.0038 -4.6370 1.5536 H 1 UNL1111111111 0.1390 62 H 4.6520 -4.7697 -0.2012 H 1 UNL1111111111 0.1685 63 H 2.5050 -4.7637 2.0535 H 1 UNL1111111111 0.1485 64 H 2.1551 -4.8268 0.3222 H 1 UNL1111111111 0.1650 65 H 3.0125 -6.1626 1.0963 H 1 UNL1111111111 0.1547 @BOND 1 1 12 1 2 1 13 1 3 2 7 ar 4 2 19 ar 5 3 27 1 6 3 60 1 7 4 28 2 8 5 32 2 9 6 9 1 10 6 10 1 11 6 11 1 12 7 25 ar 13 7 51 1 14 8 32 am 15 8 33 1 16 8 59 1 17 9 12 1 18 9 35 1 19 9 36 1 20 10 13 1 21 10 37 1 22 10 38 1 23 11 14 1 24 11 39 1 25 11 40 1 26 12 41 1 27 12 42 1 28 13 43 1 29 13 44 1 30 14 17 ar 31 14 18 ar 32 15 16 1 33 15 19 ar 34 15 25 ar 35 16 23 ar 36 16 24 ar 37 17 23 ar 38 17 45 1 39 18 24 ar 40 18 46 1 41 19 21 2 42 20 22 1 43 20 29 1 44 20 30 1 45 20 47 1 46 21 26 1 47 21 28 1 48 22 26 2 49 22 27 1 50 23 48 1 51 24 49 1 52 25 32 1 53 26 50 1 54 27 31 2 55 28 31 1 56 29 52 1 57 29 53 1 58 29 54 1 59 30 55 1 60 30 56 1 61 30 57 1 62 31 58 1 63 33 34 1 64 33 61 1 65 33 62 1 66 34 63 1 67 34 64 1 68 34 65 1