@MOLECULE 5-(4-biphenylyl)-3-methylpentanoic acid 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2131 -2.4939 0.6212 O.3 1 UNL1111111111 -0.5731 2 O -4.7696 -1.4730 -1.3065 O.2 1 UNL1111111111 -0.5079 3 C -4.0881 0.9454 0.1507 C.3 1 UNL1111111111 -0.0617 4 C -2.6006 0.5748 0.2780 C.3 1 UNL1111111111 -0.2774 5 C -1.7256 1.4352 -0.6474 C.3 1 UNL1111111111 -0.2882 6 C -4.9608 -0.1730 0.7535 C.3 1 UNL1111111111 -0.3685 7 C -4.3903 2.2618 0.8719 C.3 1 UNL1111111111 -0.4550 8 C -0.2906 1.0402 -0.4817 C.ar 1 UNL1111111111 0.0162 9 C 0.5229 1.7137 0.4323 C.ar 1 UNL1111111111 -0.1755 10 C 0.2341 -0.0178 -1.2281 C.ar 1 UNL1111111111 -0.1690 11 C -4.9512 -1.3827 -0.1213 C.2 1 UNL1111111111 0.6487 12 C 2.3719 0.2750 -0.1485 C.ar 1 UNL1111111111 -0.0376 13 C 1.8514 1.3327 0.5988 C.ar 1 UNL1111111111 -0.1409 14 C 1.5615 -0.4007 -1.0629 C.ar 1 UNL1111111111 -0.1386 15 C 3.7740 -0.1271 0.0271 C.ar 1 UNL1111111111 -0.0111 16 C 4.7714 0.4671 -0.7485 C.ar 1 UNL1111111111 -0.1548 17 C 4.1054 -1.1028 0.9694 C.ar 1 UNL1111111111 -0.1550 18 C 6.0999 0.0839 -0.5798 C.ar 1 UNL1111111111 -0.1417 19 C 5.4353 -1.4824 1.1344 C.ar 1 UNL1111111111 -0.1418 20 C 6.4323 -0.8899 0.3608 C.ar 1 UNL1111111111 -0.1543 21 H -4.3445 1.0530 -0.9340 H 1 UNL1111111111 0.1551 22 H -2.4517 -0.4937 0.0226 H 1 UNL1111111111 0.1492 23 H -2.2633 0.6818 1.3250 H 1 UNL1111111111 0.1447 24 H -1.8700 2.5105 -0.4246 H 1 UNL1111111111 0.1466 25 H -2.0504 1.3092 -1.7010 H 1 UNL1111111111 0.1549 26 H -4.6218 -0.4253 1.7816 H 1 UNL1111111111 0.1851 27 H -6.0105 0.1743 0.8738 H 1 UNL1111111111 0.1798 28 H -5.4374 2.5587 0.7483 H 1 UNL1111111111 0.1428 29 H -3.7753 3.0799 0.4782 H 1 UNL1111111111 0.1501 30 H -4.1875 2.1924 1.9462 H 1 UNL1111111111 0.1469 31 H 0.1190 2.5364 1.0176 H 1 UNL1111111111 0.1502 32 H -0.3989 -0.5467 -1.9391 H 1 UNL1111111111 0.1577 33 H 2.4869 1.8568 1.3104 H 1 UNL1111111111 0.1551 34 H 1.9712 -1.2253 -1.6440 H 1 UNL1111111111 0.1569 35 H 4.5068 1.2267 -1.4817 H 1 UNL1111111111 0.1568 36 H 3.3233 -1.5627 1.5706 H 1 UNL1111111111 0.1566 37 H -5.2324 -3.3299 0.0962 H 1 UNL1111111111 0.3551 38 H 6.8784 0.5456 -1.1836 H 1 UNL1111111111 0.1486 39 H 5.6952 -2.2426 1.8681 H 1 UNL1111111111 0.1485 40 H 7.4701 -1.1877 0.4909 H 1 UNL1111111111 0.1469 @BOND 1 1 11 1 2 1 37 1 3 2 11 2 4 3 4 1 5 3 6 1 6 3 7 1 7 3 21 1 8 4 5 1 9 4 22 1 10 4 23 1 11 5 8 1 12 5 24 1 13 5 25 1 14 6 11 1 15 6 26 1 16 6 27 1 17 7 28 1 18 7 29 1 19 7 30 1 20 8 9 ar 21 8 10 ar 22 9 13 ar 23 9 31 1 24 10 14 ar 25 10 32 1 26 12 13 ar 27 12 14 ar 28 12 15 1 29 13 33 1 30 14 34 1 31 15 16 ar 32 15 17 ar 33 16 18 ar 34 16 35 1 35 17 19 ar 36 17 36 1 37 18 20 ar 38 18 38 1 39 19 20 ar 40 19 39 1 41 20 40 1