@MOLECULE 5-(3-{(1e)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-4-(hydroxymethyl)-1,2-oxazole-3-carboxylic acid 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.1471 -1.9721 0.3655 C.ar 1 UNL1111111111 -0.1026 2 C 3.2554 -0.5850 0.2191 C.ar 1 UNL1111111111 -0.0601 3 C 2.1480 0.2372 0.4454 C.ar 1 UNL1111111111 -0.1419 4 C 0.9266 -0.3281 0.8201 C.ar 1 UNL1111111111 -0.0010 5 C 0.8212 -1.7160 0.9638 C.ar 1 UNL1111111111 -0.1223 6 C 1.9276 -2.5307 0.7376 C.ar 1 UNL1111111111 -0.1544 7 C 4.5112 -0.0008 -0.1811 C.ar 1 UNL1111111111 0.0483 8 O 4.4018 1.0502 -1.0940 O.2 1 UNL1111111111 0.0661 9 N 5.6465 1.4969 -1.3960 N.ar 1 UNL1111111111 -0.1357 10 C 6.5344 0.7777 -0.7117 C.ar 1 UNL1111111111 -0.0558 11 C 5.8405 -0.2070 0.0983 C.ar 1 UNL1111111111 -0.1584 12 C 7.9921 0.9330 -0.7533 C.2 1 UNL1111111111 0.6498 13 O 8.3830 1.8614 -1.6510 O.3 1 UNL1111111111 -0.4959 14 O 8.7872 0.3214 -0.0843 O.2 1 UNL1111111111 -0.4918 15 C -0.2204 0.5427 1.0724 C.2 1 UNL1111111111 -0.1910 16 C -4.9421 1.0298 0.4243 C.ar 1 UNL1111111111 0.3704 17 C -5.2073 2.2726 0.9996 C.ar 1 UNL1111111111 -0.4077 18 C -6.5131 2.7688 0.9749 C.ar 1 UNL1111111111 0.0411 19 C -7.5453 2.0442 0.4030 C.ar 1 UNL1111111111 -0.3500 20 C -7.2622 0.7883 -0.1603 C.ar 1 UNL1111111111 0.4269 21 C -5.9610 0.2576 -0.1852 C.ar 1 UNL1111111111 -0.4185 22 C -5.6036 -0.9961 -0.8361 C.2 1 UNL1111111111 0.6489 23 O -4.5650 -1.3281 -1.3402 O.2 1 UNL1111111111 -0.4646 24 O -6.6781 -1.8596 -0.8407 O.3 1 UNL1111111111 -0.4866 25 C -6.4974 -3.0892 -1.5302 C.3 1 UNL1111111111 -0.1472 26 O -8.3246 0.1627 -0.6880 O.3 1 UNL1111111111 -0.4599 27 O -3.7383 0.4289 0.3980 O.3 1 UNL1111111111 -0.2894 28 C -2.6145 1.1591 0.9184 C.3 1 UNL1111111111 -0.0611 29 C -1.4560 0.2583 0.6483 C.2 1 UNL1111111111 -0.1346 30 C 6.4999 -1.1755 1.0028 C.3 1 UNL1111111111 0.0234 31 O 5.5707 -1.8797 1.7947 O.3 1 UNL1111111111 -0.5361 32 H 4.0183 -2.6108 0.1952 H 1 UNL1111111111 0.1809 33 H 2.2350 1.3171 0.3271 H 1 UNL1111111111 0.1634 34 H -0.1305 -2.1594 1.2580 H 1 UNL1111111111 0.1616 35 H 1.8410 -3.6109 0.8527 H 1 UNL1111111111 0.1607 36 H 9.3717 1.9706 -1.6863 H 1 UNL1111111111 0.3541 37 H 0.0045 1.4528 1.6312 H 1 UNL1111111111 0.1572 38 H -4.4252 2.8587 1.4645 H 1 UNL1111111111 0.1697 39 H -6.7202 3.7452 1.4197 H 1 UNL1111111111 0.1489 40 H -8.5658 2.4168 0.3827 H 1 UNL1111111111 0.1858 41 H -7.4450 -3.6130 -1.3598 H 1 UNL1111111111 0.1429 42 H -6.3214 -2.8998 -2.5942 H 1 UNL1111111111 0.1384 43 H -5.6552 -3.6407 -1.0967 H 1 UNL1111111111 0.1444 44 H -8.1029 -0.7711 -0.9831 H 1 UNL1111111111 0.3630 45 H -2.5247 2.1237 0.3812 H 1 UNL1111111111 0.1496 46 H -2.7733 1.3354 1.9995 H 1 UNL1111111111 0.1455 47 H -1.6987 -0.6392 0.0687 H 1 UNL1111111111 0.1865 48 H 7.0138 -1.9876 0.4392 H 1 UNL1111111111 0.1686 49 H 7.2490 -0.6850 1.6626 H 1 UNL1111111111 0.1526 50 H 5.0349 -1.2651 2.3376 H 1 UNL1111111111 0.3182 @BOND 1 1 2 ar 2 1 6 ar 3 1 32 1 4 2 3 ar 5 2 7 1 6 3 4 ar 7 3 33 1 8 4 5 ar 9 4 15 1 10 5 6 ar 11 5 34 1 12 6 35 1 13 7 8 ar 14 7 11 ar 15 8 9 ar 16 9 10 ar 17 10 11 ar 18 10 12 1 19 11 30 1 20 12 13 1 21 12 14 2 22 13 36 1 23 15 29 2 24 15 37 1 25 16 17 ar 26 16 21 ar 27 16 27 1 28 17 18 ar 29 17 38 1 30 18 19 ar 31 18 39 1 32 19 20 ar 33 19 40 1 34 20 21 ar 35 20 26 1 36 21 22 1 37 22 23 2 38 22 24 1 39 24 25 1 40 25 41 1 41 25 42 1 42 25 43 1 43 26 44 1 44 27 28 1 45 28 29 1 46 28 45 1 47 28 46 1 48 29 47 1 49 30 31 1 50 30 48 1 51 30 49 1 52 31 50 1