@MOLECULE (2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic acid 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.4856 -2.4734 2.3297 C.3 1 UNL1111 -0.4563 2 C -4.1775 -1.1841 1.9057 C.3 1 UNL1111 -0.0340 3 O -3.6614 -0.9496 0.5942 O.3 1 UNL1111 -0.3787 4 C -4.0196 0.2920 0.0294 C.3 1 UNL1111 0.0578 5 C -5.4085 0.1127 -0.5724 C.2 1 UNL1111 0.5925 6 O -5.4547 0.4597 -1.8823 O.3 1 UNL1111 -0.5600 7 O -6.3992 -0.2678 -0.0065 O.2 1 UNL1111 -0.5167 8 C -2.9247 0.5743 -1.0064 C.3 1 UNL1111 -0.2844 9 C -1.7409 1.2420 -0.3741 C.ar 1 UNL1111 -0.0242 10 C -1.1291 0.6387 0.7469 C.ar 1 UNL1111 -0.1432 11 C -1.2401 2.4153 -0.9182 C.ar 1 UNL1111 -0.1494 12 C -0.0828 2.9685 -0.3667 C.ar 1 UNL1111 -0.0600 13 C 0.7344 4.1056 -0.7061 C.ar 1 UNL1111 -0.2567 14 C 1.8202 4.1050 0.1421 C.ar 1 UNL1111 -0.0348 15 C 0.5441 2.3242 0.7423 C.ar 1 UNL1111 0.0983 16 C 0.0089 1.1699 1.3227 C.ar 1 UNL1111 -0.1789 17 N 1.6929 3.0656 1.0865 N.ar 1 UNL1111 -0.3107 18 C 2.8587 2.4119 1.6918 C.3 1 UNL1111 -0.0379 19 C 3.2321 1.2267 0.8731 C.ar 1 UNL1111 -0.0658 20 C 3.7435 1.1426 -0.4044 C.ar 1 UNL1111 0.1424 21 C 4.2860 2.0742 -1.3892 C.3 1 UNL1111 -0.4430 22 O 3.6613 -0.1743 -0.8133 O.2 1 UNL1111 -0.2181 23 N 2.8413 -0.0648 1.2775 N.ar 1 UNL1111 -0.3567 24 C 3.0729 -0.8576 0.2555 C.ar 1 UNL1111 0.2456 25 C 2.6865 -2.2262 -0.0162 C.ar 1 UNL1111 -0.0681 26 C 1.4473 -2.4580 -0.6181 C.ar 1 UNL1111 0.0521 27 CL 0.4695 -1.1197 -1.0086 Cl 1 UNL1111 -0.0354 28 C 0.9981 -3.7410 -0.8951 C.ar 1 UNL1111 -0.1760 29 C 1.8204 -4.8181 -0.5629 C.ar 1 UNL1111 -0.0993 30 C 3.0624 -4.6045 0.0349 C.ar 1 UNL1111 -0.1705 31 C 3.4999 -3.3098 0.3122 C.ar 1 UNL1111 -0.0829 32 H -3.7877 -2.7713 3.3385 H 1 UNL1111 0.1475 33 H -3.7309 -3.2959 1.6451 H 1 UNL1111 0.1565 34 H -2.3927 -2.3605 2.3162 H 1 UNL1111 0.1618 35 H -5.2762 -1.2938 1.8458 H 1 UNL1111 0.1389 36 H -3.9213 -0.3373 2.5656 H 1 UNL1111 0.1188 37 H -4.0692 1.1011 0.7984 H 1 UNL1111 0.1580 38 H -6.3462 0.3431 -2.2930 H 1 UNL1111 0.3532 39 H -2.6039 -0.3858 -1.4751 H 1 UNL1111 0.1803 40 H -3.3290 1.1820 -1.8434 H 1 UNL1111 0.1734 41 H -1.5578 -0.2820 1.1510 H 1 UNL1111 0.1757 42 H -1.7160 2.8966 -1.7681 H 1 UNL1111 0.1567 43 H 0.5095 4.8101 -1.4762 H 1 UNL1111 0.1642 44 H 2.6469 4.7874 0.1933 H 1 UNL1111 0.1584 45 H 0.4956 0.6921 2.1706 H 1 UNL1111 0.1755 46 H 3.6974 3.1390 1.7800 H 1 UNL1111 0.1552 47 H 2.5868 2.0979 2.7344 H 1 UNL1111 0.1811 48 H 4.6400 1.5612 -2.3014 H 1 UNL1111 0.1817 49 H 3.5124 2.7992 -1.7134 H 1 UNL1111 0.1875 50 H 5.1339 2.6544 -0.9897 H 1 UNL1111 0.1721 51 H 0.0262 -3.9082 -1.3600 H 1 UNL1111 0.1771 52 H 1.4877 -5.8346 -0.7727 H 1 UNL1111 0.1544 53 H 3.6954 -5.4533 0.2892 H 1 UNL1111 0.1594 54 H 4.4671 -3.1407 0.7867 H 1 UNL1111 0.1656 @BOND 1 1 2 1 2 1 32 1 3 1 33 1 4 1 34 1 5 2 3 1 6 2 35 1 7 2 36 1 8 3 4 1 9 4 5 1 10 4 8 1 11 4 37 1 12 5 6 1 13 5 7 2 14 6 38 1 15 8 9 1 16 8 39 1 17 8 40 1 18 9 10 ar 19 9 11 ar 20 10 16 ar 21 10 41 1 22 11 12 ar 23 11 42 1 24 12 13 ar 25 12 15 ar 26 13 14 ar 27 13 43 1 28 14 17 ar 29 14 44 1 30 15 16 ar 31 15 17 ar 32 16 45 1 33 17 18 1 34 18 19 1 35 18 46 1 36 18 47 1 37 19 20 ar 38 19 23 ar 39 20 21 1 40 20 22 ar 41 21 48 1 42 21 49 1 43 21 50 1 44 22 24 ar 45 23 24 ar 46 24 25 1 47 25 26 ar 48 25 31 ar 49 26 27 1 50 26 28 ar 51 28 29 ar 52 28 51 1 53 29 30 ar 54 29 52 1 55 30 31 ar 56 30 53 1 57 31 54 1