@MOLECULE 3-hydroxy-3-methyl-2-phenylpentanoic acid 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0726 1.7398 -1.1561 O.3 1 UNL1111111111 -0.5592 2 O -0.5136 -2.8476 -0.7620 O.3 1 UNL1111111111 -0.5570 3 O -1.3678 -1.9559 1.0877 O.2 1 UNL1111111111 -0.5131 4 C -1.4521 0.6424 -0.3500 C.3 1 UNL1111111111 0.3559 5 C -0.4304 -0.5103 -0.6605 C.3 1 UNL1111111111 -0.2820 6 C -1.3274 1.1551 1.0903 C.3 1 UNL1111111111 -0.2912 7 C -2.8658 0.1826 -0.7087 C.3 1 UNL1111111111 -0.5249 8 C 0.9728 -0.1307 -0.2722 C.ar 1 UNL1111111111 0.0174 9 C -2.2529 2.3403 1.3500 C.3 1 UNL1111111111 -0.4232 10 C -0.8349 -1.7861 0.0224 C.2 1 UNL1111111111 0.6498 11 C 1.7161 0.6630 -1.1506 C.ar 1 UNL1111111111 -0.1444 12 C 1.5475 -0.5579 0.9271 C.ar 1 UNL1111111111 -0.1767 13 C 3.0291 1.0042 -0.8401 C.ar 1 UNL1111111111 -0.1402 14 C 2.8667 -0.2236 1.2278 C.ar 1 UNL1111111111 -0.1351 15 C 3.6107 0.5563 0.3451 C.ar 1 UNL1111111111 -0.1533 16 H -0.4519 -0.6841 -1.7738 H 1 UNL1111111111 0.1891 17 H -1.5335 0.3289 1.8009 H 1 UNL1111111111 0.1654 18 H -0.2773 1.4676 1.2710 H 1 UNL1111111111 0.1607 19 H -2.9216 -0.2992 -1.6870 H 1 UNL1111111111 0.1482 20 H -3.5603 1.0321 -0.7215 H 1 UNL1111111111 0.1691 21 H -3.2467 -0.5313 0.0362 H 1 UNL1111111111 0.1764 22 H -3.3089 2.0598 1.2888 H 1 UNL1111111111 0.1378 23 H -2.0794 2.7651 2.3453 H 1 UNL1111111111 0.1397 24 H -2.0736 3.1331 0.6104 H 1 UNL1111111111 0.1579 25 H -1.3078 1.6045 -2.0917 H 1 UNL1111111111 0.3112 26 H 1.2652 1.0383 -2.0669 H 1 UNL1111111111 0.1558 27 H 0.9693 -1.1483 1.6389 H 1 UNL1111111111 0.1634 28 H 3.6067 1.6131 -1.5324 H 1 UNL1111111111 0.1486 29 H 3.3163 -0.5806 2.1530 H 1 UNL1111111111 0.1504 30 H 4.6427 0.8130 0.5761 H 1 UNL1111111111 0.1482 31 H -0.7183 -3.7251 -0.3529 H 1 UNL1111111111 0.3552 @BOND 1 1 4 1 2 1 25 1 3 2 10 1 4 2 31 1 5 3 10 2 6 4 5 1 7 4 6 1 8 4 7 1 9 5 8 1 10 5 10 1 11 5 16 1 12 6 9 1 13 6 17 1 14 6 18 1 15 7 19 1 16 7 20 1 17 7 21 1 18 8 11 ar 19 8 12 ar 20 9 22 1 21 9 23 1 22 9 24 1 23 11 13 ar 24 11 26 1 25 12 14 ar 26 12 27 1 27 13 15 ar 28 13 28 1 29 14 15 ar 30 14 29 1 31 15 30 1