@MOLECULE 1,5-anhydro-2,3-dideoxy-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)-6-o-phosphono-d-arabino-hexitol 39 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.4445 0.7139 -0.0514 P.3 1 UNL1 0.3459 2 O -4.2658 2.1024 0.3213 O.2 1 UNL1 -0.2318 3 O -5.0430 0.3813 -1.4968 O.3 1 UNL1 -0.3458 4 O -5.4612 -0.0429 0.9019 O.3 1 UNL1 -0.2826 5 O -3.1679 -0.2623 -0.1344 O.3 1 UNL1 -0.3620 6 C -1.9661 -0.0146 0.6130 C.3 1 UNL1 -0.0104 7 C -1.0359 -1.1171 0.0707 C.3 1 UNL1 0.0547 8 O -0.4606 -0.5372 -1.0911 O.3 1 UNL1 -0.3996 9 C 0.0761 -1.4302 1.0988 C.3 1 UNL1 0.1044 10 O -0.5962 -2.1487 2.1139 O.3 1 UNL1 -0.5549 11 C 1.1668 -2.3020 0.4726 C.3 1 UNL1 -0.3756 12 C 1.6850 -1.6860 -0.8375 C.3 1 UNL1 0.0588 13 C 0.4906 -1.3434 -1.7477 C.3 1 UNL1 -0.0762 14 N 2.5386 -0.5085 -0.5658 N.ar 1 UNL1 -0.4558 15 C 3.8949 -0.7810 -0.2719 C.ar 1 UNL1 0.6933 16 O 4.3445 -1.9046 -0.3700 O.2 1 UNL1 -0.5215 17 N 4.6829 0.2984 0.1218 N.ar 1 UNL1 -0.6255 18 C 4.1987 1.6275 0.2870 C.ar 1 UNL1 0.6034 19 O 4.9951 2.4568 0.6567 O.2 1 UNL1 -0.4702 20 C 2.7828 1.8079 -0.0033 C.ar 1 UNL1 -0.2452 21 C 2.2414 3.1815 0.1410 C.3 1 UNL1 -0.4044 22 C 2.0120 0.7626 -0.3967 C.ar 1 UNL1 0.0996 23 H -4.2639 0.3212 -2.1633 H 1 UNL1 0.3223 24 H -5.5783 -1.0092 0.5663 H 1 UNL1 0.3097 25 H -2.1361 -0.1596 1.7021 H 1 UNL1 0.1513 26 H -1.5389 0.9911 0.4225 H 1 UNL1 0.1411 27 H -1.6040 -2.0311 -0.2091 H 1 UNL1 0.1577 28 H 0.4999 -0.5019 1.5415 H 1 UNL1 0.1289 29 H 0.0227 -2.4145 2.8222 H 1 UNL1 0.3230 30 H 0.7671 -3.3182 0.2762 H 1 UNL1 0.1719 31 H 2.0051 -2.4567 1.1808 H 1 UNL1 0.1704 32 H 2.3353 -2.4466 -1.3673 H 1 UNL1 0.1839 33 H 0.7820 -0.7146 -2.6119 H 1 UNL1 0.1604 34 H 0.0099 -2.2672 -2.1185 H 1 UNL1 0.1380 35 H 5.6710 0.1116 0.3155 H 1 UNL1 0.3473 36 H 2.7035 3.7100 0.9934 H 1 UNL1 0.1739 37 H 2.4594 3.7912 -0.7515 H 1 UNL1 0.1630 38 H 1.1545 3.2003 0.2961 H 1 UNL1 0.1521 39 H 0.9382 0.8913 -0.6154 H 1 UNL1 0.2068 @BOND 1 33 13 1 2 23 3 1 3 34 13 1 4 13 8 1 5 13 12 1 6 3 1 1 7 32 12 1 8 8 7 1 9 12 14 1 10 12 11 1 11 37 21 1 12 39 22 1 13 14 22 ar 14 14 15 ar 15 22 20 ar 16 16 15 2 17 15 17 ar 18 27 7 1 19 5 1 1 20 5 6 1 21 1 2 2 22 1 4 1 23 20 21 1 24 20 18 ar 25 7 6 1 26 7 9 1 27 17 18 ar 28 17 35 1 29 21 38 1 30 21 36 1 31 30 11 1 32 18 19 2 33 26 6 1 34 11 9 1 35 11 31 1 36 24 4 1 37 6 25 1 38 9 28 1 39 9 10 1 40 10 29 1