@MOLECULE diethyl (4-{[({[(2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}amino)acetyl]amino}benzyl)phosphonate 66 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.9944 0.3937 -0.5574 P.3 1 UNL1 0.1808 2 O 4.2547 0.4082 -1.1080 O.3 1 UNL1 -0.4130 3 O 5.6477 3.1543 0.1293 O.3 1 UNL1 -0.5058 4 O 7.0643 1.0408 0.4114 O.3 1 UNL1 -0.5416 5 O 4.3947 -1.5706 1.5284 O.2 1 UNL1 -0.5249 6 O 1.8079 2.7081 -2.0577 O.2 1 UNL1 -0.5011 7 O -1.3254 1.9026 1.1229 O.2 1 UNL1 -0.4293 8 O 1.1713 -4.3497 0.0425 O.2 1 UNL1 -0.5087 9 O -6.5303 -0.1112 -0.5414 O.3 1 UNL1 -0.3621 10 O -4.7052 1.1078 0.8411 O.3 1 UNL1 -0.2180 11 O -4.6428 1.3985 -1.5689 O.2 1 UNL1 -0.2768 12 N 2.4875 1.6042 -0.1658 N.ar 1 UNL1 -0.5027 13 N 4.1296 -2.3601 -0.5907 N.am 1 UNL1 -0.5641 14 N 0.2019 2.2425 -0.4994 N.ar 1 UNL1 -0.6182 15 N 1.3262 -2.1249 -0.3895 N.am 1 UNL1 -0.5782 16 C 4.8703 2.0677 0.5253 C.3 1 UNL1 0.0357 17 C 5.7238 0.7897 0.7627 C.3 1 UNL1 0.0582 18 C 3.8785 1.6832 -0.6140 C.3 1 UNL1 0.2456 19 C 5.2293 -0.2135 -0.2880 C.3 1 UNL1 -0.0184 20 C 4.5481 -1.4329 0.3323 C.2 1 UNL1 0.5372 21 C 1.5021 2.2237 -0.9906 C.ar 1 UNL1 0.7084 22 C 2.1291 0.9509 1.0083 C.ar 1 UNL1 0.1324 23 C 0.8592 0.9890 1.4700 C.ar 1 UNL1 -0.4013 24 C 3.3888 -3.5376 -0.1672 C.3 1 UNL1 -0.1596 25 C -0.1933 1.7056 0.7622 C.ar 1 UNL1 0.6079 26 C 1.8634 -3.3763 -0.1643 C.2 1 UNL1 0.5537 27 C -4.3304 -1.3306 -0.7079 C.3 1 UNL1 -0.2061 28 C -0.0847 -1.9214 -0.4293 C.ar 1 UNL1 0.1699 29 C -2.8356 -1.4724 -0.5840 C.ar 1 UNL1 0.0441 30 C -1.9794 -0.9706 -1.5731 C.ar 1 UNL1 -0.1181 31 C -2.2955 -2.1978 0.4838 C.ar 1 UNL1 -0.1553 32 C -0.6095 -1.1871 -1.4993 C.ar 1 UNL1 -0.2109 33 C -0.9247 -2.4268 0.5671 C.ar 1 UNL1 -0.1624 34 C -7.6576 0.7735 -0.6147 C.3 1 UNL1 0.0329 35 C -4.9356 0.5297 2.1401 C.3 1 UNL1 -0.0226 36 C -8.4141 0.6384 0.7079 C.3 1 UNL1 -0.4782 37 C -3.5795 0.2098 2.7578 C.3 1 UNL1 -0.4848 38 H 4.3646 2.4396 1.4406 H 1 UNL1 0.1717 39 H 5.6673 0.4071 1.8047 H 1 UNL1 0.1670 40 H 3.9551 2.3646 -1.5093 H 1 UNL1 0.2094 41 H 6.0555 -0.5062 -0.9818 H 1 UNL1 0.1905 42 H 6.3603 2.8684 -0.5011 H 1 UNL1 0.3364 43 H 7.5265 1.5472 1.1170 H 1 UNL1 0.3356 44 H 2.9316 0.4100 1.5325 H 1 UNL1 0.1832 45 H 4.1831 -2.1748 -1.5848 H 1 UNL1 0.3270 46 H -0.5236 2.6792 -1.0814 H 1 UNL1 0.3560 47 H 0.5586 0.4883 2.3892 H 1 UNL1 0.2037 48 H 3.6442 -4.4044 -0.8286 H 1 UNL1 0.1810 49 H 3.7006 -3.8355 0.8717 H 1 UNL1 0.2019 50 H 1.9120 -1.3262 -0.5829 H 1 UNL1 0.3213 51 H -4.6526 -1.7036 -1.7308 H 1 UNL1 0.1994 52 H -4.8747 -1.9816 0.0354 H 1 UNL1 0.1865 53 H -2.3764 -0.4045 -2.4196 H 1 UNL1 0.1740 54 H -2.9480 -2.6071 1.2545 H 1 UNL1 0.1533 55 H 0.0460 -0.8011 -2.2769 H 1 UNL1 0.1587 56 H -0.5095 -3.0139 1.3851 H 1 UNL1 0.1711 57 H -8.2323 0.3357 -1.4585 H 1 UNL1 0.1212 58 H -7.4403 1.8322 -0.8538 H 1 UNL1 0.1336 59 H -5.6300 -0.3255 2.1886 H 1 UNL1 0.1172 60 H -5.4082 1.3951 2.6587 H 1 UNL1 0.1277 61 H -9.3440 1.2136 0.6854 H 1 UNL1 0.1448 62 H -7.8186 1.0001 1.5533 H 1 UNL1 0.1547 63 H -8.6626 -0.4084 0.9117 H 1 UNL1 0.1493 64 H -3.6567 0.0722 3.8388 H 1 UNL1 0.1395 65 H -2.8688 1.0334 2.5692 H 1 UNL1 0.1864 66 H -3.1149 -0.6841 2.3266 H 1 UNL1 0.1529 @BOND 1 53 30 1 2 55 32 1 3 6 21 2 4 51 27 1 5 45 13 1 6 30 32 ar 7 30 29 ar 8 11 1 2 9 40 18 1 10 32 28 ar 11 57 34 1 12 2 18 1 13 2 19 1 14 46 14 1 15 21 14 ar 16 21 12 ar 17 41 19 1 18 58 34 1 19 48 24 1 20 27 29 1 21 27 1 1 22 27 52 1 23 34 9 1 24 34 36 1 25 18 12 1 26 18 16 1 27 13 24 1 28 13 20 am 29 29 31 ar 30 50 15 1 31 1 9 1 32 1 10 1 33 42 3 1 34 14 25 ar 35 28 15 1 36 28 33 ar 37 15 26 am 38 19 20 1 39 19 17 1 40 24 26 1 41 24 49 1 42 12 22 ar 43 26 8 2 44 3 16 1 45 20 5 2 46 4 17 1 47 4 43 1 48 31 33 ar 49 31 54 1 50 16 17 1 51 16 38 1 52 33 56 1 53 61 36 1 54 36 63 1 55 36 62 1 56 25 7 2 57 25 23 ar 58 17 39 1 59 10 35 1 60 22 23 ar 61 22 44 1 62 23 47 1 63 35 59 1 64 35 60 1 65 35 37 1 66 66 37 1 67 65 37 1 68 37 64 1