@MOLECULE (2R)-2-methyl-3-(3-phenylisoxazol-5-yl)propanoic acid 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2495 -0.1590 -0.9110 C.3 1 UNL11111111 -0.6194 2 C 0.8157 -0.3258 -0.6373 C.ar 1 UNL11111111 0.0471 3 C -0.2683 0.5089 -0.5805 C.ar 1 UNL11111111 -0.5088 4 O 0.4143 -1.6188 -0.3482 O.2 1 UNL11111111 0.2421 5 N -0.9339 -1.6055 -0.1023 N.ar 1 UNL11111111 -0.3655 6 C -1.3843 -0.3540 -0.2316 C.ar 1 UNL11111111 0.0778 7 C -2.7748 0.0288 -0.0445 C.ar 1 UNL11111111 0.2061 8 C -3.7337 -0.9421 0.2699 C.ar 1 UNL11111111 -0.2607 9 C -5.0655 -0.5771 0.4451 C.ar 1 UNL11111111 -0.1747 10 C -5.4484 0.7561 0.3090 C.ar 1 UNL11111111 -0.1617 11 C -4.4965 1.7256 -0.0033 C.ar 1 UNL11111111 -0.1682 12 C -3.1633 1.3661 -0.1801 C.ar 1 UNL11111111 -0.2967 13 C 3.0536 -1.0099 1.3447 C.3 1 UNL11111111 -0.8884 14 C 3.0096 0.1783 0.3859 C.3 1 UNL11111111 0.4565 15 C 4.4248 0.5539 0.0254 C.2 1 UNL11111111 0.1363 16 O 5.0261 0.3375 -0.9926 O.2 1 UNL11111111 -0.3252 17 O 5.0063 1.2278 1.0503 O.3 1 UNL11111111 -0.4524 18 H 2.6850 -1.0749 -1.3776 H 1 UNL11111111 0.2627 19 H 2.4107 0.6402 -1.6724 H 1 UNL11111111 0.2439 20 H 2.5174 1.0486 0.8967 H 1 UNL11111111 0.1155 21 H -0.3203 1.5608 -0.7503 H 1 UNL11111111 0.2919 22 H -3.4328 -1.9872 0.3758 H 1 UNL11111111 0.2353 23 H -2.4273 2.1296 -0.4254 H 1 UNL11111111 0.2144 24 H -5.8076 -1.3357 0.6886 H 1 UNL11111111 0.1864 25 H -6.4901 1.0406 0.4456 H 1 UNL11111111 0.1770 26 H -4.7952 2.7667 -0.1103 H 1 UNL11111111 0.1857 27 H 3.5680 -1.8762 0.9098 H 1 UNL11111111 0.2800 28 H 3.5706 -0.7513 2.2795 H 1 UNL11111111 0.2482 29 H 2.0400 -1.3400 1.6153 H 1 UNL11111111 0.2519 30 H 5.9440 1.4878 0.8736 H 1 UNL11111111 0.3629 @BOND 1 1 2 1 2 1 14 1 3 1 18 1 4 1 19 1 5 2 3 ar 6 2 4 ar 7 3 6 ar 8 3 21 1 9 4 5 ar 10 5 6 ar 11 6 7 1 12 7 8 ar 13 7 12 ar 14 8 9 ar 15 8 22 1 16 9 10 ar 17 9 24 1 18 10 11 ar 19 10 25 1 20 11 12 ar 21 11 26 1 22 12 23 1 23 13 14 1 24 13 27 1 25 13 28 1 26 13 29 1 27 14 15 1 28 14 20 1 29 15 16 2 30 15 17 1 31 17 30 1