@MOLECULE 2-(4-biphenylyloxy)heptanoic acid 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3313 -0.2394 0.5278 O.3 1 UNL1111111111 -0.3309 2 O 3.1748 -2.8968 -0.9586 O.3 1 UNL1111111111 -0.5796 3 O 2.6117 -2.6021 1.1734 O.2 1 UNL1111111111 -0.4596 4 C 4.0715 0.4363 0.0367 C.3 1 UNL1111111111 -0.2669 5 C 3.0738 0.0281 -1.0516 C.3 1 UNL1111111111 -0.2887 6 C 5.1148 1.4073 -0.5310 C.3 1 UNL1111111111 -0.2716 7 C 1.9894 -0.9231 -0.5334 C.3 1 UNL1111111111 0.0381 8 C 6.0909 1.8559 0.5640 C.3 1 UNL1111111111 -0.2491 9 C 7.1541 2.8006 0.0033 C.3 1 UNL1111111111 -0.4418 10 C 2.5959 -2.1847 0.0515 C.2 1 UNL1111111111 0.5955 11 C -0.0336 -0.1545 0.3773 C.ar 1 UNL1111111111 0.2074 12 C -2.7626 0.1710 0.1493 C.ar 1 UNL1111111111 -0.0587 13 C -0.8363 -1.2874 0.2437 C.ar 1 UNL1111111111 -0.2358 14 C -0.5651 1.1347 0.4330 C.ar 1 UNL1111111111 -0.2080 15 C -2.2122 -1.1127 0.1335 C.ar 1 UNL1111111111 -0.1047 16 C -1.9411 1.2912 0.3106 C.ar 1 UNL1111111111 -0.1123 17 C -4.2156 0.3393 0.0002 C.ar 1 UNL1111111111 -0.0127 18 C -4.7769 0.4891 -1.2697 C.ar 1 UNL1111111111 -0.1562 19 C -5.0345 0.3426 1.1311 C.ar 1 UNL1111111111 -0.1523 20 C -6.1545 0.6457 -1.4057 C.ar 1 UNL1111111111 -0.1436 21 C -6.4114 0.4992 0.9912 C.ar 1 UNL1111111111 -0.1426 22 C -6.9718 0.6517 -0.2763 C.ar 1 UNL1111111111 -0.1516 23 H 3.5363 0.9001 0.8885 H 1 UNL1111111111 0.1573 24 H 4.5741 -0.4562 0.4562 H 1 UNL1111111111 0.1426 25 H 3.6054 -0.4530 -1.8974 H 1 UNL1111111111 0.1607 26 H 2.5839 0.9336 -1.4654 H 1 UNL1111111111 0.1565 27 H 4.6139 2.2895 -0.9741 H 1 UNL1111111111 0.1358 28 H 5.6705 0.9280 -1.3565 H 1 UNL1111111111 0.1354 29 H 1.2827 -1.1971 -1.3561 H 1 UNL1111111111 0.1625 30 H 6.5821 0.9761 1.0220 H 1 UNL1111111111 0.1366 31 H 5.5376 2.3549 1.3829 H 1 UNL1111111111 0.1369 32 H 7.8506 3.1254 0.7854 H 1 UNL1111111111 0.1416 33 H 6.7052 3.7012 -0.4276 H 1 UNL1111111111 0.1411 34 H 7.7461 2.3188 -0.7825 H 1 UNL1111111111 0.1416 35 H -0.3986 -2.2823 0.2512 H 1 UNL1111111111 0.1695 36 H 0.0928 1.9889 0.5648 H 1 UNL1111111111 0.1714 37 H -2.8658 -1.9795 0.0309 H 1 UNL1111111111 0.1597 38 H -2.3813 2.2874 0.3332 H 1 UNL1111111111 0.1584 39 H 3.6138 -3.7257 -0.6532 H 1 UNL1111111111 0.3569 40 H -4.1367 0.4853 -2.1493 H 1 UNL1111111111 0.1547 41 H -4.5925 0.2245 2.1189 H 1 UNL1111111111 0.1590 42 H -6.5928 0.7639 -2.3947 H 1 UNL1111111111 0.1492 43 H -7.0500 0.5030 1.8727 H 1 UNL1111111111 0.1505 44 H -8.0471 0.7747 -0.3838 H 1 UNL1111111111 0.1481 @BOND 1 1 7 1 2 1 11 1 3 2 10 1 4 2 39 1 5 3 10 2 6 4 5 1 7 4 6 1 8 4 23 1 9 4 24 1 10 5 7 1 11 5 25 1 12 5 26 1 13 6 8 1 14 6 27 1 15 6 28 1 16 7 10 1 17 7 29 1 18 8 9 1 19 8 30 1 20 8 31 1 21 9 32 1 22 9 33 1 23 9 34 1 24 11 13 ar 25 11 14 ar 26 12 15 ar 27 12 16 ar 28 12 17 1 29 13 15 ar 30 13 35 1 31 14 16 ar 32 14 36 1 33 15 37 1 34 16 38 1 35 17 18 ar 36 17 19 ar 37 18 20 ar 38 18 40 1 39 19 21 ar 40 19 41 1 41 20 22 ar 42 20 42 1 43 21 22 ar 44 21 43 1 45 22 44 1