@MOLECULE hexylphosphonic acid (r)-2-methyl-3-phenylpropyl ester 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.6371 1.1400 -0.2727 C.3 1 UNL1111111111 -0.4393 2 C 4.4053 1.9207 -0.7318 C.3 1 UNL1111111111 -0.2552 3 C 3.1629 1.4794 0.0505 C.3 1 UNL1111111111 -0.2768 4 C 1.9047 2.1959 -0.4546 C.3 1 UNL1111111111 -0.2755 5 C 0.6703 1.6828 0.3048 C.3 1 UNL1111111111 -0.2395 6 C -0.5909 2.3701 -0.2763 C.3 1 UNL1111111111 -0.1897 7 P -2.2032 1.7067 0.2921 P.3 1 UNL1111111111 0.2102 8 O -3.1148 2.3561 -0.8705 O.3 1 UNL1111111111 -0.4444 9 O -2.3147 0.1200 0.0629 O.3 1 UNL1111111111 -0.2661 10 C -1.8399 -0.5434 -1.1264 C.3 1 UNL1111111111 -0.0533 11 C -2.1574 -2.0233 -0.8160 C.3 1 UNL1111111111 -0.0904 12 C -3.6693 -2.2189 -0.6793 C.3 1 UNL1111111111 -0.4476 13 C -1.4544 -2.4717 0.4786 C.3 1 UNL1111111111 -0.3040 14 C 0.0368 -2.3597 0.4076 C.ar 1 UNL1111111111 0.0347 15 C 0.7518 -2.9504 -0.6379 C.ar 1 UNL1111111111 -0.1928 16 C 2.1415 -2.8667 -0.6734 C.ar 1 UNL1111111111 -0.1348 17 C 2.8290 -2.2056 0.3427 C.ar 1 UNL1111111111 -0.1797 18 C 2.1200 -1.6179 1.3891 C.ar 1 UNL1111111111 -0.1384 19 C 0.7293 -1.6876 1.4188 C.ar 1 UNL1111111111 -0.1787 20 O -2.7092 1.9256 1.6512 O.2 1 UNL1111111111 -0.2873 21 H 6.5331 1.4537 -0.8192 H 1 UNL1111111111 0.1393 22 H 5.8325 1.2911 0.7947 H 1 UNL1111111111 0.1427 23 H 5.5120 0.0637 -0.4359 H 1 UNL1111111111 0.1425 24 H 4.2461 1.7687 -1.8161 H 1 UNL1111111111 0.1327 25 H 4.5731 3.0059 -0.5994 H 1 UNL1111111111 0.1319 26 H 3.0338 0.3823 -0.0437 H 1 UNL1111111111 0.1467 27 H 3.3065 1.6748 1.1293 H 1 UNL1111111111 0.1369 28 H 1.7851 2.0222 -1.5403 H 1 UNL1111111111 0.1346 29 H 2.0097 3.2884 -0.3265 H 1 UNL1111111111 0.1358 30 H 0.6359 0.5739 0.2243 H 1 UNL1111111111 0.1574 31 H 0.7872 1.8946 1.3880 H 1 UNL1111111111 0.1520 32 H -0.5616 3.4711 -0.0172 H 1 UNL1111111111 0.1852 33 H -0.5611 2.3170 -1.4050 H 1 UNL1111111111 0.1808 34 H -4.0957 2.2227 -0.6500 H 1 UNL1111111111 0.3289 35 H -2.3831 -0.2091 -2.0303 H 1 UNL1111111111 0.1248 36 H -0.7512 -0.4090 -1.2784 H 1 UNL1111111111 0.1223 37 H -1.7841 -2.6352 -1.6719 H 1 UNL1111111111 0.1306 38 H -4.1976 -1.8983 -1.5830 H 1 UNL1111111111 0.1406 39 H -3.9264 -3.2658 -0.4930 H 1 UNL1111111111 0.1377 40 H -4.0699 -1.6235 0.1542 H 1 UNL1111111111 0.1671 41 H -1.7319 -3.5220 0.7076 H 1 UNL1111111111 0.1506 42 H -1.8557 -1.8746 1.3291 H 1 UNL1111111111 0.1765 43 H 0.2242 -3.4861 -1.4232 H 1 UNL1111111111 0.1488 44 H 2.6916 -3.3239 -1.4931 H 1 UNL1111111111 0.1451 45 H 3.9142 -2.1515 0.3205 H 1 UNL1111111111 0.1462 46 H 2.6543 -1.1057 2.1870 H 1 UNL1111111111 0.1473 47 H 0.1789 -1.2168 2.2334 H 1 UNL1111111111 0.1636 @BOND 1 1 2 1 2 1 21 1 3 1 22 1 4 1 23 1 5 2 3 1 6 2 24 1 7 2 25 1 8 3 4 1 9 3 26 1 10 3 27 1 11 4 5 1 12 4 28 1 13 4 29 1 14 5 6 1 15 5 30 1 16 5 31 1 17 6 7 1 18 6 32 1 19 6 33 1 20 7 8 1 21 7 9 1 22 7 20 2 23 8 34 1 24 9 10 1 25 10 11 1 26 10 35 1 27 10 36 1 28 11 12 1 29 11 13 1 30 11 37 1 31 12 38 1 32 12 39 1 33 12 40 1 34 13 14 1 35 13 41 1 36 13 42 1 37 14 15 ar 38 14 19 ar 39 15 16 ar 40 15 43 1 41 16 17 ar 42 16 44 1 43 17 18 ar 44 17 45 1 45 18 19 ar 46 18 46 1 47 19 47 1