@MOLECULE 4-amino-1-(5-o-{[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)-2(1h)-pyrimidinone 46 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 0.3985 3.3643 0.1728 P.3 1 UNL1 0.5420 2 O 1.8244 -0.3586 3.0242 O.2 1 UNL1 -0.3339 3 O -0.7171 -0.0010 -1.9298 O.2 1 UNL1 -0.5116 4 O 2.0994 -0.3296 -2.7435 O.2 2 UNL2 -0.3449 5 O 0.3489 1.7060 0.0483 O.3 1 UNL1 -0.4564 6 O -3.3230 -1.3363 5.2206 O.2 1 UNL1 -0.3802 7 O 2.0991 3.3885 -0.5588 O.3 1 UNL1 -0.0963 8 O -0.2088 3.8456 -1.0245 O.2 1 UNL1 -0.0894 9 O 0.6187 3.6011 1.5620 O.3 1 UNL1 -0.1459 10 O 3.4563 0.4106 -0.0627 O.2 1 UNL1 -0.3060 11 O 5.9668 2.7962 0.5288 O.2 1 UNL1 -0.3076 12 O 6.9335 -0.0086 0.4484 O.2 1 UNL1 -0.2503 13 O 0.7913 -6.7405 -1.7286 O.2 1 UNL1 -0.3092 14 N 4.3718 -1.7049 0.0573 N.2 1 UNL1 -0.1126 15 N 0.7598 -4.9037 -0.2173 N.2 1 UNL1 -0.4527 16 N -0.2001 -2.7879 -0.0521 N.pl3 1 UNL1 -0.0611 17 C -3.7991 0.1792 -3.2543 C.2 1 UNL1 -0.7336 18 C -4.2619 0.9204 -2.0595 C.3 1 UNL1 0.4203 19 C -3.8025 0.3911 -0.7786 C.2 1 UNL1 -0.2467 20 C -2.6795 -0.4197 -0.6774 C.2 1 UNL1 0.0779 21 C 1.2989 -0.0700 2.0629 C.2 1 UNL1 0.3588 22 C -2.6469 -0.6129 -3.1718 C.3 1 UNL1 0.1109 23 C -2.1242 -1.1615 0.3802 C.2 1 UNL1 -0.2387 24 C -1.8814 -0.3538 -1.9610 C.2 1 UNL1 0.3672 25 C -5.0935 1.9445 -2.1864 C.1 1 UNL1 -0.7842 26 C -5.8728 2.9547 -2.2248 C.1 1 UNL1 0.3549 27 C -4.5487 0.7038 0.3524 C.1 1 UNL1 0.0374 28 C -4.5185 0.1522 -4.3944 C.2 1 UNL1 0.7196 29 C -5.1293 0.6021 2.7639 C.2 1 UNL1 0.0608 30 C -5.0867 0.8713 1.4393 C.2 1 UNL1 -0.0956 31 C -2.5557 -1.1619 1.7080 C.1 1 UNL1 0.0736 32 C -1.0719 -2.0353 0.1176 C.3 1 UNL1 0.2240 33 C 1.6653 -0.0202 -1.7423 C.2 2 UNL2 0.3721 34 C -2.8942 -1.1563 2.8811 C.1 1 UNL1 -0.2486 35 C -4.6079 -0.0079 3.6911 C.2 1 UNL1 -0.1874 36 C -3.5750 -0.9081 4.1268 C.2 1 UNL1 0.5481 37 C 0.2499 0.5313 0.0311 C.3 1 UNL1 0.8152 38 C 2.9793 2.6410 -0.2791 C.3 1 UNL1 0.4478 39 C 3.8839 1.7302 0.0153 C.3 1 UNL1 -0.1878 40 C 5.3229 1.8145 0.3254 C.2 1 UNL1 0.3654 41 C 5.8042 0.3452 0.3080 C.2 1 UNL1 0.3368 42 C 4.5883 -0.4463 0.0886 C.2 1 UNL1 0.0860 43 C 3.2089 -2.2780 -0.0492 C.1 1 UNL1 -0.0901 44 C 0.8033 -5.7320 -1.1362 C.1 1 UNL1 0.5643 45 C 2.1354 -2.8952 -0.1093 C.1 1 UNL1 -0.0071 46 C 0.9372 -3.5292 -0.1750 C.2 1 UNL1 0.0944 @BOND 1 28 17 2 2 17 22 1 3 17 18 1 4 22 24 1 5 4 33 2 6 26 25 3 7 25 18 1 8 18 19 1 9 24 3 2 10 24 20 1 11 13 44 2 12 44 15 2 13 8 1 2 14 19 20 1 15 19 27 2 16 20 23 2 17 7 38 1 18 7 1 1 19 38 39 1 20 15 46 2 21 46 45 1 22 46 16 1 23 45 43 3 24 10 39 1 25 10 42 1 26 16 32 1 27 43 14 1 28 39 40 1 29 37 5 1 30 5 1 1 31 14 42 2 32 42 41 1 33 32 23 1 34 1 9 1 35 41 40 1 36 41 12 2 37 40 11 2 38 27 30 2 39 23 31 1 40 30 29 1 41 31 34 3 42 21 2 2 43 29 35 2 44 34 36 1 45 35 36 1 46 36 6 2