@MOLECULE [(1R)-1-amino-3-methyl-butyl]-[(1S)-1-benzyl-2-methoxy-2-oxo-ethoxy]phosphinic acid 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.8487 -1.0730 0.2910 C.3 1 UNL111111111 0.0986 2 C -3.3423 -0.6642 0.3845 C.3 1 UNL111111111 -0.3087 3 C -4.1204 -1.2226 -0.8266 C.3 1 UNL111111111 -0.0635 4 C -5.6260 -1.1374 -0.5466 C.3 1 UNL111111111 -0.4590 5 C -3.7830 -0.4358 -2.0976 C.3 1 UNL111111111 -0.4561 6 N -1.5901 -2.4742 0.7031 N.3 1 UNL111111111 -0.6284 7 P -0.6641 0.0305 1.3003 P.3 1 UNL111111111 0.2083 8 O -1.1308 1.1578 2.1028 O.2 1 UNL111111111 -0.2530 9 O 0.3203 -0.8911 2.1542 O.3 1 UNL111111111 -0.3166 10 C 1.2502 1.2912 -0.1089 C.3 1 UNL111111111 0.1030 11 C 2.1002 0.7315 -1.2689 C.3 1 UNL111111111 -0.3224 12 C 2.6559 -0.6002 -0.8711 C.ar 1 UNL111111111 0.0352 13 C 1.9436 -1.7671 -1.1593 C.ar 1 UNL111111111 -0.1485 14 C 3.8716 -0.6798 -0.1888 C.ar 1 UNL111111111 -0.1751 15 C 2.4450 -3.0050 -0.7653 C.ar 1 UNL111111111 -0.1470 16 C 4.3722 -1.9204 0.1999 C.ar 1 UNL111111111 -0.1428 17 C 3.6608 -3.0838 -0.0878 C.ar 1 UNL111111111 -0.1688 18 C 0.6650 2.6409 -0.5344 C.2 1 UNL111111111 0.5580 19 C 0.5565 4.8976 0.1508 C.3 1 UNL111111111 -0.1714 20 O 0.1564 0.3873 -0.0481 O.3 1 UNL111111111 -0.3441 21 O 1.0972 3.5939 0.3281 O.3 1 UNL111111111 -0.4075 22 O -0.0410 2.8784 -1.4759 O.2 1 UNL111111111 -0.4941 23 H -1.5120 -0.9614 -0.8002 H 1 UNL111111111 0.1876 24 H -3.7979 -1.0293 1.3263 H 1 UNL111111111 0.1489 25 H -3.4824 0.4394 0.4134 H 1 UNL111111111 0.1753 26 H -3.8497 -2.2933 -0.9803 H 1 UNL111111111 0.1175 27 H -5.9355 -0.1098 -0.3237 H 1 UNL111111111 0.1521 28 H -6.2105 -1.4704 -1.4111 H 1 UNL111111111 0.1441 29 H -5.9161 -1.7626 0.3035 H 1 UNL111111111 0.1396 30 H -2.7168 -0.4936 -2.3472 H 1 UNL111111111 0.1475 31 H -4.3424 -0.8113 -2.9602 H 1 UNL111111111 0.1411 32 H -4.0257 0.6289 -1.9875 H 1 UNL111111111 0.1561 33 H -2.1208 -2.7495 1.5215 H 1 UNL111111111 0.2550 34 H 0.4335 -1.7945 1.6611 H 1 UNL111111111 0.3284 35 H 1.8545 1.3837 0.8267 H 1 UNL111111111 0.1675 36 H 1.4681 0.6451 -2.1810 H 1 UNL111111111 0.1772 37 H 2.9026 1.4489 -1.5291 H 1 UNL111111111 0.1586 38 H 0.9890 -1.7050 -1.6791 H 1 UNL111111111 0.1571 39 H 4.4263 0.2256 0.0463 H 1 UNL111111111 0.1509 40 H 1.8860 -3.9118 -0.9841 H 1 UNL111111111 0.1445 41 H 5.3192 -1.9809 0.7315 H 1 UNL111111111 0.1445 42 H 4.0526 -4.0507 0.2173 H 1 UNL111111111 0.1452 43 H 0.9957 5.4636 0.9799 H 1 UNL111111111 0.1444 44 H 0.8582 5.3030 -0.8193 H 1 UNL111111111 0.1328 45 H -0.5361 4.8642 0.2309 H 1 UNL111111111 0.1427 46 H -1.8253 -3.1172 -0.0430 H 1 UNL111111111 0.2451 @BOND 1 1 2 1 2 1 6 1 3 1 7 1 4 1 23 1 5 2 3 1 6 2 24 1 7 2 25 1 8 3 4 1 9 3 5 1 10 3 26 1 11 4 27 1 12 4 28 1 13 4 29 1 14 5 30 1 15 5 31 1 16 5 32 1 17 6 33 1 18 6 46 1 19 7 8 2 20 7 9 1 21 7 20 1 22 9 34 1 23 10 11 1 24 10 18 1 25 10 20 1 26 10 35 1 27 11 12 1 28 11 36 1 29 11 37 1 30 12 13 ar 31 12 14 ar 32 13 15 ar 33 13 38 1 34 14 16 ar 35 14 39 1 36 15 17 ar 37 15 40 1 38 16 17 ar 39 16 41 1 40 17 42 1 41 18 21 1 42 18 22 2 43 19 21 1 44 19 43 1 45 19 44 1 46 19 45 1