@MOLECULE 3'-azido-5'-o-[bis(4-nitrophenoxy)phosphoryl]-3'-deoxythymidine 61 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.5769 0.3995 -1.0393 P.3 1 UNL1 0.3847 2 O 2.0201 -3.0071 -0.8399 O.3 1 UNL1 -0.3807 3 O 0.2951 -0.9097 -0.8757 O.3 1 UNL1 -0.1663 4 O 5.6136 -2.3741 1.0690 O.2 1 UNL1 -0.5265 5 O -1.7840 0.2629 0.0244 O.3 1 UNL1 -0.3405 6 O 0.3097 1.4055 -0.1548 O.3 1 UNL1 -0.2420 7 O -0.8740 0.6961 -2.4175 O.2 1 UNL1 -0.1759 8 O 5.7526 1.8061 -0.6660 O.2 1 UNL1 -0.4694 9 O -6.9245 -3.2376 -0.2861 O.2 1 UNL1 -0.4045 10 O -1.5123 6.9327 2.1078 O.2 1 UNL1 -0.4042 11 O -7.7649 -1.2921 -0.6617 O.2 1 UNL1 -0.4007 12 O 0.0117 7.5561 0.7225 O.2 1 UNL1 -0.3989 13 N 3.9502 -1.7885 -0.3908 N.ar 1 UNL1 -0.5225 14 N 1.1388 -4.9315 1.5469 N.2 1 UNL1 -0.4590 15 N 5.6924 -0.2678 0.1930 N.ar 1 UNL1 -0.6290 16 N -0.0310 -5.2158 1.8623 N.2 1 UNL1 0.4166 17 N -1.0325 -5.6892 2.1163 N.2 1 UNL1 -0.1908 18 N -6.8171 -2.0324 -0.4515 N.pl3 1 UNL1 0.6314 19 N -0.6663 6.6951 1.2600 N.pl3 1 UNL1 0.6287 20 C 1.5686 -3.5346 1.4346 C.3 1 UNL1 0.0286 21 C 1.0194 -2.8450 0.1521 C.3 1 UNL1 0.0458 22 C 3.0963 -3.5756 1.1988 C.3 1 UNL1 -0.3328 23 C 3.2972 -3.1234 -0.2589 C.3 1 UNL1 0.3234 24 C 0.7609 -1.3529 0.4254 C.3 1 UNL1 -0.0981 25 C 3.4606 -0.8739 -1.3187 C.ar 1 UNL1 0.1254 26 C 5.1287 -1.5339 0.3380 C.ar 1 UNL1 0.6992 27 C 4.0261 0.3491 -1.4692 C.ar 1 UNL1 -0.2402 28 C 5.1819 0.7420 -0.6730 C.ar 1 UNL1 0.5996 29 C 3.5259 1.3532 -2.4397 C.3 1 UNL1 -0.3979 30 C -2.9762 -0.3383 -0.2598 C.ar 1 UNL1 0.3466 31 C -0.0818 2.6958 0.1137 C.ar 1 UNL1 0.3091 32 C -3.1267 -1.7141 -0.0227 C.ar 1 UNL1 -0.2699 33 C -1.0527 2.9892 1.0806 C.ar 1 UNL1 -0.2549 34 C -4.0687 0.4850 -0.5769 C.ar 1 UNL1 -0.2616 35 C 0.7007 3.6965 -0.4848 C.ar 1 UNL1 -0.2431 36 C -4.3968 -2.2680 -0.0893 C.ar 1 UNL1 -0.0324 37 C -1.2382 4.3117 1.4585 C.ar 1 UNL1 -0.0442 38 C -5.3338 -0.0786 -0.6370 C.ar 1 UNL1 -0.0316 39 C 0.5112 5.0140 -0.0967 C.ar 1 UNL1 -0.0432 40 C -5.4909 -1.4489 -0.3912 C.ar 1 UNL1 -0.1495 41 C -0.4593 5.3135 0.8676 C.ar 1 UNL1 -0.1361 42 H 1.3233 -2.9566 2.3586 H 1 UNL1 0.1492 43 H 0.1395 -3.3463 -0.3053 H 1 UNL1 0.1689 44 H 3.5112 -4.5965 1.3495 H 1 UNL1 0.2013 45 H 3.6335 -2.9529 1.9383 H 1 UNL1 0.1949 46 H 3.8414 -3.8576 -0.9038 H 1 UNL1 0.1668 47 H 0.0429 -1.2229 1.2589 H 1 UNL1 0.1474 48 H 1.6995 -0.8101 0.6698 H 1 UNL1 0.1629 49 H 2.5900 -1.1983 -1.9150 H 1 UNL1 0.2073 50 H 6.5380 -0.0653 0.7347 H 1 UNL1 0.3486 51 H 3.2393 2.2880 -1.9300 H 1 UNL1 0.1630 52 H 2.6506 1.0062 -3.0063 H 1 UNL1 0.1590 53 H 4.3048 1.6239 -3.1721 H 1 UNL1 0.1644 54 H -2.2680 -2.3364 0.2124 H 1 UNL1 0.1684 55 H -1.6512 2.1990 1.5366 H 1 UNL1 0.1863 56 H -3.9226 1.5477 -0.7688 H 1 UNL1 0.1856 57 H 1.4464 3.4346 -1.2361 H 1 UNL1 0.1866 58 H -4.5479 -3.3388 0.0929 H 1 UNL1 0.1865 59 H -1.9886 4.5737 2.2133 H 1 UNL1 0.1850 60 H -6.2076 0.5386 -0.8778 H 1 UNL1 0.1870 61 H 1.1103 5.8181 -0.5406 H 1 UNL1 0.1883 @BOND 1 53 29 1 2 52 29 1 3 29 51 1 4 29 27 1 5 7 1 2 6 49 25 1 7 27 25 ar 8 27 28 ar 9 25 13 ar 10 57 35 1 11 1 3 1 12 1 6 1 13 1 5 1 14 46 23 1 15 60 38 1 16 3 24 1 17 2 23 1 18 2 21 1 19 56 34 1 20 28 8 2 21 28 15 ar 22 11 18 2 23 38 34 ar 24 38 40 ar 25 34 30 ar 26 61 39 1 27 35 39 ar 28 35 31 ar 29 18 40 1 30 18 9 2 31 40 36 ar 32 13 23 1 33 13 26 ar 34 43 21 1 35 30 32 ar 36 30 5 1 37 23 22 1 38 6 31 1 39 39 41 ar 40 36 32 ar 41 36 58 1 42 32 54 1 43 31 33 ar 44 21 24 1 45 21 20 1 46 15 26 ar 47 15 50 1 48 26 4 2 49 24 48 1 50 24 47 1 51 12 19 2 52 41 19 1 53 41 37 ar 54 33 37 ar 55 33 55 1 56 22 44 1 57 22 20 1 58 22 45 1 59 19 10 2 60 20 14 1 61 20 42 1 62 37 59 1 63 14 16 2 64 16 17 2