@MOLECULE 4-(4-{[(2r,4s)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]methoxy}-2,6-dimethylbenzyl)-2-isopropylphenol 67 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.2153 1.3966 0.9685 P.3 1 UNL1 0.2207 2 C -2.4970 -1.1111 0.6200 C.3 1 UNL1 0.1498 3 C 2.6446 0.3656 0.1335 C.ar 1 UNL1 -0.1210 4 C -0.0208 3.6784 0.1854 C.ar 1 UNL1 -0.2606 5 C -0.7428 2.4581 -1.7989 C.ar 1 UNL1 -0.3115 6 C -1.4035 -3.2312 -0.1185 C.ar 1 UNL1 -0.2066 7 C -0.9449 -1.2234 -1.3881 C.ar 1 UNL1 -0.1459 8 C 4.9033 1.1503 -0.2241 C.ar 1 UNL1 -0.1418 9 C 5.3728 0.2456 0.7198 C.ar 1 UNL1 -0.2292 10 C -0.1183 -1.9479 -2.2468 C.ar 1 UNL1 -0.1224 11 C 0.0777 -3.3141 -2.0546 C.ar 1 UNL1 -0.1861 12 C -3.3248 2.6234 -0.4089 C.3 1 UNL1 0.0379 13 C 3.0480 2.2352 -1.5095 C.3 1 UNL1 -0.2699 14 C 2.3790 3.9077 0.7745 C.3 1 UNL1 -0.4593 15 C 0.8882 1.3647 -3.3199 C.3 1 UNL1 -0.4572 16 C 0.7893 -0.7017 2.1298 C.3 1 UNL1 -0.4455 17 C 1.8818 -2.6904 1.0262 C.3 1 UNL1 -0.4587 18 H 4.3292 -1.9936 2.7277 H 1 UNL1 0.3267 19 C -1.5942 -1.8627 -0.3323 C.ar 1 UNL1 -0.0102 20 C 1.6182 2.6164 -1.2556 C.ar 1 UNL1 -0.1084 21 C 3.5379 1.2213 -0.5134 C.ar 1 UNL1 -0.0446 22 C 1.3062 3.3950 -0.1258 C.ar 1 UNL1 0.0944 23 C 0.5925 2.1680 -2.0955 C.ar 1 UNL1 0.0822 24 C 3.0795 -0.5282 1.1090 C.ar 1 UNL1 -0.1384 25 C -1.0243 3.1924 -0.6531 C.ar 1 UNL1 0.2505 26 C 4.4540 -0.5768 1.3770 C.ar 1 UNL1 0.2454 27 C -0.5696 -3.9202 -0.9859 C.ar 1 UNL1 0.0345 28 O -2.7833 1.7485 2.3152 O.2 1 UNL1 -0.2578 29 C -3.9644 -1.5534 0.4305 C.3 1 UNL1 -0.3692 30 C -4.8962 -0.6032 1.1995 C.3 1 UNL1 0.0169 31 O 5.0074 -1.4195 2.2913 O.3 1 UNL1 -0.4810 32 O -2.2931 3.5812 -0.2790 O.3 1 UNL1 -0.2968 33 C 2.1161 -1.4157 1.8470 C.3 1 UNL1 -0.0544 34 CL -0.3095 -5.5902 -0.7082 Cl 1 UNL1 -0.0970 35 O -2.3042 0.2635 0.2453 O.3 1 UNL1 -0.3469 36 O -4.7133 0.7796 0.8579 O.3 1 UNL1 -0.3404 37 H -2.1517 -1.2771 1.6752 H 1 UNL1 0.1475 38 H -4.2220 -1.5530 -0.6476 H 1 UNL1 0.1624 39 H -4.1040 -2.5924 0.7749 H 1 UNL1 0.1494 40 H -5.9566 -0.7274 0.8858 H 1 UNL1 0.1314 41 H -4.8322 -0.7560 2.2969 H 1 UNL1 0.1294 42 H -3.3275 2.1225 -1.4123 H 1 UNL1 0.1706 43 H -4.2573 3.2526 -0.2907 H 1 UNL1 0.1902 44 H 3.1944 1.8342 -2.5351 H 1 UNL1 0.1546 45 H 3.6865 3.1466 -1.4801 H 1 UNL1 0.1539 46 H 2.5554 -1.7040 2.8393 H 1 UNL1 0.1205 47 H 1.5806 0.4098 -0.1155 H 1 UNL1 0.1741 48 H -0.2898 4.2434 1.0751 H 1 UNL1 0.1799 49 H -1.5360 2.1158 -2.4534 H 1 UNL1 0.1601 50 H -1.8909 -3.7370 0.7132 H 1 UNL1 0.1694 51 H -1.0687 -0.1465 -1.5440 H 1 UNL1 0.1868 52 H 5.6049 1.8069 -0.7346 H 1 UNL1 0.1495 53 H 3.0619 4.5848 0.2421 H 1 UNL1 0.1571 54 H 1.9835 4.4574 1.6386 H 1 UNL1 0.1570 55 H 2.9897 3.0798 1.1753 H 1 UNL1 0.1770 56 H -0.0195 1.0346 -3.8409 H 1 UNL1 0.1515 57 H 1.4741 1.9485 -4.0450 H 1 UNL1 0.1582 58 H 1.4713 0.4635 -3.0745 H 1 UNL1 0.1643 59 H 0.9500 0.2795 2.5940 H 1 UNL1 0.1577 60 H 0.2137 -0.5230 1.2116 H 1 UNL1 0.1597 61 H 0.1559 -1.2879 2.8022 H 1 UNL1 0.1425 62 H 2.8166 -3.2278 0.8368 H 1 UNL1 0.1438 63 H 1.1951 -3.3749 1.5341 H 1 UNL1 0.1467 64 H 1.4448 -2.4507 0.0477 H 1 UNL1 0.1584 65 H 6.4301 0.1695 0.9591 H 1 UNL1 0.1707 66 H 0.3823 -1.4428 -3.0723 H 1 UNL1 0.1559 67 H 0.7251 -3.8819 -2.7210 H 1 UNL1 0.1717 @BOND 1 57 15 1 2 56 15 1 3 15 58 1 4 15 23 1 5 66 10 1 6 67 11 1 7 44 13 1 8 49 5 1 9 10 11 ar 10 10 7 ar 11 23 5 ar 12 23 20 ar 13 11 27 ar 14 5 25 ar 15 51 7 1 16 13 45 1 17 13 20 1 18 13 21 1 19 42 12 1 20 7 19 ar 21 20 22 ar 22 27 34 1 23 27 6 ar 24 52 8 1 25 25 32 1 26 25 4 ar 27 38 29 1 28 21 8 ar 29 21 3 ar 30 12 43 1 31 12 32 1 32 12 1 1 33 19 6 ar 34 19 2 1 35 8 9 ar 36 22 4 ar 37 22 14 1 38 6 50 1 39 47 3 1 40 64 17 1 41 3 24 ar 42 4 48 1 43 53 14 1 44 35 2 1 45 35 1 1 46 29 2 1 47 29 39 1 48 29 30 1 49 2 37 1 50 9 65 1 51 9 26 ar 52 14 55 1 53 14 54 1 54 62 17 1 55 36 1 1 56 36 30 1 57 40 30 1 58 1 28 2 59 17 63 1 60 17 33 1 61 24 26 ar 62 24 33 1 63 30 41 1 64 60 16 1 65 26 31 1 66 33 16 1 67 33 46 1 68 16 59 1 69 16 61 1 70 31 18 1