@MOLECULE (2s)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2h-1,2,3-triazol-2-yl)propanoic acid 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.5842 0.2828 0.8981 O.2 1 UNL1111111111 -0.4770 2 C 6.5718 0.9143 1.0289 C.2 1 UNL1111111111 0.6010 3 O 6.5505 2.1447 1.5776 O.3 1 UNL1111111111 -0.5195 4 C 5.1577 0.4445 0.6844 C.3 1 UNL1111111111 0.0344 5 N 4.3751 1.5378 0.1152 N.ar 1 UNL1111111111 0.0025 6 N 3.2429 1.9903 0.6916 N.ar 1 UNL1111111111 -0.2174 7 C 2.7718 2.9526 -0.1382 C.ar 1 UNL1111111111 -0.1125 8 C 3.6794 3.0528 -1.2466 C.ar 1 UNL1111111111 -0.1145 9 N 4.6683 2.1457 -1.0528 N.ar 1 UNL1111111111 -0.2315 10 C 5.2553 -0.7450 -0.2943 C.3 1 UNL1111111111 -0.3013 11 C 3.9047 -1.3491 -0.5165 C.ar 1 UNL1111111111 -0.0226 12 C 3.3436 -2.1872 0.4489 C.ar 1 UNL1111111111 -0.1525 13 C 2.0770 -2.7281 0.2504 C.ar 1 UNL1111111111 -0.1732 14 C 1.3639 -2.4400 -0.9156 C.ar 1 UNL1111111111 0.0228 15 C 1.9268 -1.6013 -1.8798 C.ar 1 UNL1111111111 -0.1737 16 C 3.1930 -1.0591 -1.6816 C.ar 1 UNL1111111111 -0.1425 17 C -0.0024 -3.0160 -1.1243 C.3 1 UNL1111111111 -0.2902 18 C -1.0555 -2.0979 -0.4865 C.3 1 UNL1111111111 -0.2480 19 C -2.4682 -2.6483 -0.7379 C.3 1 UNL1111111111 -0.2489 20 C -3.4759 -1.7966 -0.0723 C.ar 1 UNL1111111111 0.0277 21 N -4.1107 -0.7416 -0.7534 N.ar 1 UNL1111111111 -0.3945 22 C -4.9407 -0.1799 0.1060 C.ar 1 UNL1111111111 0.2577 23 O -4.8985 -0.8128 1.3487 O.2 1 UNL1111111111 -0.2436 24 C -3.9665 -1.8301 1.2145 C.ar 1 UNL1111111111 0.0813 25 C -3.7446 -2.6336 2.4144 C.3 1 UNL1111111111 -0.4309 26 C -5.8474 0.9383 -0.0197 C.ar 1 UNL1111111111 -0.0493 27 C -6.6503 1.3241 1.0590 C.ar 1 UNL1111111111 -0.1163 28 C -7.5145 2.4066 0.9212 C.ar 1 UNL1111111111 -0.1561 29 C -7.5786 3.1021 -0.2859 C.ar 1 UNL1111111111 -0.1211 30 C -6.7790 2.7156 -1.3608 C.ar 1 UNL1111111111 -0.1592 31 C -5.9124 1.6339 -1.2325 C.ar 1 UNL1111111111 -0.0981 32 H 7.4539 2.4967 1.7956 H 1 UNL1111111111 0.3590 33 H 4.6467 0.1185 1.6438 H 1 UNL1111111111 0.2070 34 H 1.8743 3.5060 0.0555 H 1 UNL1111111111 0.1970 35 H 3.6403 3.7039 -2.0967 H 1 UNL1111111111 0.1941 36 H 5.7128 -0.4110 -1.2534 H 1 UNL1111111111 0.1850 37 H 5.9701 -1.4987 0.1075 H 1 UNL1111111111 0.1844 38 H 3.8933 -2.4183 1.3588 H 1 UNL1111111111 0.1497 39 H 1.6392 -3.3749 1.0073 H 1 UNL1111111111 0.1498 40 H 1.3719 -1.3649 -2.7859 H 1 UNL1111111111 0.1567 41 H 3.6245 -0.3990 -2.4340 H 1 UNL1111111111 0.1594 42 H -0.2157 -3.1428 -2.2054 H 1 UNL1111111111 0.1515 43 H -0.0715 -4.0341 -0.6920 H 1 UNL1111111111 0.1456 44 H -0.8676 -1.9946 0.5981 H 1 UNL1111111111 0.1426 45 H -0.9737 -1.0732 -0.9029 H 1 UNL1111111111 0.1599 46 H -2.6666 -2.6850 -1.8336 H 1 UNL1111111111 0.1685 47 H -2.5458 -3.6950 -0.3797 H 1 UNL1111111111 0.1447 48 H -2.9054 -2.2404 3.0157 H 1 UNL1111111111 0.1734 49 H -4.6296 -2.6473 3.0740 H 1 UNL1111111111 0.1744 50 H -3.5059 -3.6805 2.1651 H 1 UNL1111111111 0.1689 51 H -6.5989 0.7804 2.0025 H 1 UNL1111111111 0.1633 52 H -8.1402 2.7100 1.7586 H 1 UNL1111111111 0.1539 53 H -8.2550 3.9487 -0.3890 H 1 UNL1111111111 0.1480 54 H -6.8310 3.2588 -2.3025 H 1 UNL1111111111 0.1539 55 H -5.2817 1.3219 -2.0689 H 1 UNL1111111111 0.1761 @BOND 1 1 2 2 2 2 4 1 3 3 2 1 4 3 32 1 5 4 10 1 6 4 5 1 7 4 33 1 8 5 6 ar 9 5 9 ar 10 6 7 ar 11 7 8 ar 12 7 34 1 13 8 35 1 14 9 8 ar 15 10 11 1 16 10 36 1 17 10 37 1 18 11 16 ar 19 12 11 ar 20 12 13 ar 21 12 38 1 22 13 14 ar 23 13 39 1 24 14 15 ar 25 14 17 1 26 15 40 1 27 16 15 ar 28 16 41 1 29 17 18 1 30 17 42 1 31 17 43 1 32 18 19 1 33 18 44 1 34 18 45 1 35 19 20 1 36 19 46 1 37 19 47 1 38 20 21 ar 39 20 24 ar 40 21 22 ar 41 22 23 ar 42 22 26 1 43 24 23 ar 44 24 25 1 45 25 48 1 46 25 49 1 47 25 50 1 48 26 27 ar 49 27 28 ar 50 27 51 1 51 28 52 1 52 29 28 ar 53 29 53 1 54 30 29 ar 55 30 54 1 56 31 26 ar 57 31 30 ar 58 31 55 1