@MOLECULE 2-[(2,2-dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen {4-[(trifluoroacetyl)amino]benzyl}phosphonate 58 59 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 2.3720 -4.9473 0.9308 Cl 1 UNL111 -0.0750 2 CL 4.3429 -2.9409 0.4391 Cl 1 UNL111 -0.1269 3 P -0.1840 2.6929 0.2787 P.3 1 UNL111 0.2744 4 F -7.5814 -1.0842 -1.7088 F 1 UNL111 -0.1581 5 F -6.6092 0.7605 -1.3298 F 1 UNL111 -0.1825 6 F -5.5493 -1.0649 -1.1260 F 1 UNL111 -0.1842 7 O 0.6416 1.6310 -0.6023 O.3 1 UNL111 -0.3380 8 O 0.1955 0.6568 -3.2448 O.3 1 UNL111 -0.5386 9 O 0.9161 3.4667 1.1503 O.3 1 UNL111 -0.4240 10 O 0.6205 -3.3205 -0.8133 O.3 1 UNL111 -0.5395 11 O -0.8537 3.4740 -0.7587 O.2 1 UNL111 -0.2469 12 O 7.4498 2.6222 -0.4811 O.2 1 UNL111 -0.3990 13 O 7.7077 1.0063 0.9154 O.2 1 UNL111 -0.3899 14 O -8.3087 -0.9837 0.8260 O.2 1 UNL111 -0.4254 15 N 2.1322 -1.6404 -1.3073 N.3 1 UNL111 -0.6319 16 N 7.0120 1.7113 0.2047 N.pl3 1 UNL111 0.6213 17 N -6.3253 -0.2199 1.5729 N.am 1 UNL111 -0.5616 18 CA 1.2159 -0.4920 -1.3720 C.3 1 UNL111 -0.0150 19 C 1.4178 0.5176 -0.1756 C.3 1 UNL111 0.0563 20 C 2.8671 0.9066 -0.0190 C.ar 1 UNL111 0.0079 21 C 1.4212 0.1771 -2.7548 C.3 1 UNL111 0.0004 22 C 1.7580 -2.6630 -0.3297 C.3 1 UNL111 0.2834 23 C -1.0698 1.9544 1.6933 C.3 1 UNL111 -0.2083 24 C 3.6735 0.1652 0.8525 C.ar 1 UNL111 -0.2045 25 C 3.4185 1.9543 -0.7579 C.ar 1 UNL111 -0.1694 26 C -2.4380 1.3823 1.4151 C.ar 1 UNL111 0.0585 27 C 2.8854 -3.7112 -0.2067 C.3 1 UNL111 -0.0757 28 C 5.0407 0.4125 0.9246 C.ar 1 UNL111 -0.0723 29 C 4.7759 2.2429 -0.6599 C.ar 1 UNL111 -0.0834 30 C 5.5807 1.4505 0.1609 C.ar 1 UNL111 -0.0899 31 C -2.6230 -0.0006 1.5355 C.ar 1 UNL111 -0.1635 32 C -3.5444 2.2060 1.1789 C.ar 1 UNL111 -0.1427 33 C -3.9026 -0.5460 1.5333 C.ar 1 UNL111 -0.1485 34 C -4.8275 1.6702 1.1582 C.ar 1 UNL111 -0.1508 35 C -5.0061 0.3014 1.3867 C.ar 1 UNL111 0.1203 36 C -7.1969 -0.5833 0.5816 C.2 1 UNL111 0.5048 37 C -6.7237 -0.4886 -0.8916 C.3 1 UNL111 0.4511 38 H -0.1540 1.3703 -2.6651 H 1 UNL111 0.3375 39 H 1.5433 3.9949 0.5497 H 1 UNL111 0.3337 40 H 0.6439 -3.4187 -1.7960 H 1 UNL111 0.3450 41 H 3.1117 -1.3622 -1.2961 H 1 UNL111 0.2959 42 H -6.6366 -0.3089 2.5413 H 1 UNL111 0.3372 43 HA 0.1530 -0.8627 -1.3282 H 1 UNL111 0.1859 44 H 1.0373 0.0351 0.7551 H 1 UNL111 0.1236 45 H1 2.1606 0.9934 -2.7294 H 1 UNL111 0.1197 46 H2 1.7188 -0.5710 -3.5183 H 1 UNL111 0.1557 47 H 1.4188 -2.2793 0.6647 H 1 UNL111 0.1469 48 H -1.1764 2.7816 2.4739 H 1 UNL111 0.2116 49 H -0.4064 1.1835 2.1852 H 1 UNL111 0.1892 50 H 3.2368 -0.6089 1.4821 H 1 UNL111 0.1631 51 H 2.7919 2.5479 -1.4273 H 1 UNL111 0.1833 52 H 3.1546 -4.2004 -1.1630 H 1 UNL111 0.1887 53 H 5.6878 -0.1981 1.5640 H 1 UNL111 0.1889 54 H 5.2153 3.0701 -1.2289 H 1 UNL111 0.1888 55 H -1.7658 -0.6615 1.6475 H 1 UNL111 0.1585 56 H -3.4189 3.2808 1.0228 H 1 UNL111 0.1738 57 H -4.0498 -1.6167 1.6572 H 1 UNL111 0.1688 58 H -5.6873 2.3151 0.9814 H 1 UNL111 0.1714 @BOND 1 46 21 1 2 8 21 1 3 8 38 1 4 21 45 1 5 21 18 1 6 40 10 1 7 4 37 1 8 51 25 1 9 18 43 1 10 18 15 1 11 18 19 1 12 5 37 1 13 15 41 1 14 15 22 1 15 54 29 1 16 52 27 1 17 6 37 1 18 37 36 1 19 10 22 1 20 11 3 2 21 25 29 ar 22 25 20 ar 23 29 30 ar 24 7 19 1 25 7 3 1 26 12 16 2 27 22 27 1 28 22 47 1 29 27 2 1 30 27 1 1 31 19 20 1 32 19 44 1 33 20 24 ar 34 30 16 1 35 30 28 ar 36 16 13 2 37 3 9 1 38 3 23 1 39 39 9 1 40 36 14 2 41 36 17 am 42 24 28 ar 43 24 50 1 44 28 53 1 45 58 34 1 46 56 32 1 47 34 32 ar 48 34 35 ar 49 32 26 ar 50 35 33 ar 51 35 17 1 52 26 31 ar 53 26 23 1 54 33 31 ar 55 33 57 1 56 31 55 1 57 17 42 1 58 23 49 1 59 23 48 1