@MOLECULE cytidine diphosphate glucose 61 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.1987 1.9716 -0.2261 P.3 1 UNL1 0.3904 2 P -0.3170 1.8670 -1.2969 P.3 1 UNL1 0.3796 3 C 3.1762 2.2346 0.4413 C.3 1 UNL1 0.0718 4 C 4.6278 1.7235 0.6676 C.3 1 UNL1 0.0481 5 C 2.2605 1.0846 0.8973 C.3 1 UNL1 0.0333 6 C 4.4555 0.3499 1.3591 C.3 1 UNL1 0.2612 7 C -3.6813 -2.1420 1.7111 C.3 1 UNL1 0.0476 8 C -4.2003 -2.8467 0.4416 C.3 1 UNL1 0.0717 9 C -4.4815 -0.8585 1.9887 C.3 1 UNL1 0.0200 10 C -4.1294 -1.8330 -0.7154 C.3 1 UNL1 0.0401 11 C -4.6408 0.0162 0.7100 C.3 1 UNL1 0.2902 12 C 1.5231 0.3193 -0.2132 C.3 1 UNL1 -0.0497 13 C -4.6807 -2.3556 -2.0441 C.3 1 UNL1 -0.0155 14 H 3.0096 3.1726 2.1793 H 1 UNL1 0.3184 15 H 5.1329 3.4574 1.4796 H 1 UNL1 0.3442 16 H -3.8300 -2.6191 3.6241 H 1 UNL1 0.3390 17 H -3.1954 -4.4848 0.8661 H 1 UNL1 0.3378 18 H -3.1079 0.3789 2.7025 H 1 UNL1 0.3483 19 H -4.2752 -0.5963 -2.8443 H 1 UNL1 0.3344 20 H 6.1873 -4.0416 -2.5520 H 1 UNL1 0.3264 21 H 6.6664 -4.8525 -1.1152 H 1 UNL1 0.3117 22 O 4.2871 0.0880 -1.4150 O.2 1 UNL1 -0.5052 23 O -4.2536 2.3950 -1.1230 O.2 1 UNL1 -0.2219 24 O 0.3016 3.1751 -1.2846 O.2 1 UNL1 -0.2246 25 O 2.9634 3.3840 1.2200 O.3 1 UNL1 -0.5340 26 O 5.3126 2.5002 1.6264 O.3 1 UNL1 -0.5660 27 O -3.8979 -3.0702 2.7569 O.3 1 UNL1 -0.5768 28 O -3.3367 -3.9021 0.0851 O.3 1 UNL1 -0.5531 29 O -3.8685 -0.1564 3.0364 O.3 1 UNL1 -0.5512 30 O -4.2208 -1.5437 -3.1047 O.3 1 UNL1 -0.5547 31 O -2.9315 2.8185 1.0904 O.3 1 UNL1 -0.3492 32 O -0.3177 1.1839 -2.7276 O.3 1 UNL1 -0.2970 33 O -3.3325 0.5374 0.4874 O.3 1 UNL1 -0.3014 34 O 0.1500 0.7543 -0.2480 O.3 1 UNL1 -0.2704 35 O -1.8907 1.9035 -1.0834 O.3 1 UNL1 -0.2115 36 C 4.8123 -0.8564 -0.8732 C.ar 1 UNL1 0.7245 37 C 5.8248 -2.9884 -0.8189 C.ar 1 UNL1 0.5077 38 H -2.2545 3.5632 0.8699 H 1 UNL1 0.3342 39 H -1.0002 0.4121 -2.7380 H 1 UNL1 0.3232 40 O 3.0821 0.1338 1.5828 O.3 1 UNL1 -0.4441 41 O -5.0153 -0.7687 -0.3854 O.3 1 UNL1 -0.4373 42 N 6.2692 -4.0513 -1.5513 N.pl3 1 UNL1 -0.5818 43 C 5.4806 -1.8578 1.2688 C.ar 1 UNL1 0.1945 44 C 5.9330 -2.9740 0.6152 C.ar 1 UNL1 -0.4784 45 N 4.9721 -0.7880 0.5813 N.ar 1 UNL1 -0.5050 46 N 5.2843 -1.9717 -1.5124 N.ar 1 UNL1 -0.6266 47 H 2.9959 2.5903 -0.5977 H 1 UNL1 0.1917 48 H 5.2436 1.7109 -0.2550 H 1 UNL1 0.1746 49 H 1.5429 1.4217 1.6845 H 1 UNL1 0.1670 50 H 4.9117 0.3480 2.3862 H 1 UNL1 0.1644 51 H -2.5871 -1.9430 1.6519 H 1 UNL1 0.1545 52 H -5.2206 -3.2602 0.5905 H 1 UNL1 0.1434 53 H -5.4894 -1.1045 2.4021 H 1 UNL1 0.1634 54 H -3.0874 -1.4578 -0.8503 H 1 UNL1 0.1713 55 H -5.4932 0.7338 0.7949 H 1 UNL1 0.1598 56 H 2.0745 0.3222 -1.1749 H 1 UNL1 0.1672 57 H 1.3822 -0.7453 0.0950 H 1 UNL1 0.1539 58 H -4.2859 -3.3617 -2.2814 H 1 UNL1 0.1578 59 H -5.7851 -2.3620 -2.0643 H 1 UNL1 0.1313 60 H 5.5237 -1.7833 2.3662 H 1 UNL1 0.1699 61 H 6.3509 -3.8149 1.1493 H 1 UNL1 0.1870 @BOND 1 30 19 1 2 30 13 1 3 39 32 1 4 32 2 1 5 20 42 1 6 58 13 1 7 59 13 1 8 13 10 1 9 42 21 1 10 42 37 1 11 46 36 ar 12 46 37 ar 13 22 36 2 14 2 24 2 15 2 35 1 16 2 34 1 17 56 12 1 18 23 1 2 19 35 1 1 20 36 45 ar 21 54 10 1 22 37 44 ar 23 10 41 1 24 10 8 1 25 47 3 1 26 41 11 1 27 48 4 1 28 34 12 1 29 1 33 1 30 1 31 1 31 12 57 1 32 12 5 1 33 28 8 1 34 28 17 1 35 3 4 1 36 3 5 1 37 3 25 1 38 8 52 1 39 8 7 1 40 33 11 1 41 45 43 ar 42 45 6 1 43 44 61 1 44 44 43 ar 45 4 6 1 46 4 26 1 47 11 55 1 48 11 9 1 49 38 31 1 50 5 40 1 51 5 49 1 52 25 14 1 53 43 60 1 54 6 40 1 55 6 50 1 56 15 26 1 57 51 7 1 58 7 9 1 59 7 27 1 60 9 53 1 61 9 29 1 62 18 29 1 63 27 16 1