@MOLECULE 1-(6-azido-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-1-deoxypentitol 30 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.4921 3.1449 1.7760 O.2 1 UNL1 -0.2484 2 O 4.5059 1.2784 1.0169 O.2 1 UNL1 -0.3052 3 O 2.2335 1.4183 -1.6021 O.2 1 UNL1 -0.4053 4 O 4.6939 -0.8383 -1.9604 O.2 1 UNL1 -0.0337 5 O -0.8220 -3.9129 0.6658 O.2 1 UNL1 -0.3873 6 O 3.4191 -2.3194 -0.1064 O.2 1 UNL1 -0.4760 7 N 0.1464 0.8716 0.4401 N.ar 1 UNL1 -0.0659 8 N -1.7846 -1.2938 0.1921 N.ar 1 UNL1 -0.2512 9 N 1.7854 -0.8225 0.4002 N.2 1 UNL1 -0.5529 10 N 1.3282 -3.2319 0.3084 N.am 1 UNL1 -0.6822 11 N -4.5555 -0.6004 -0.2507 N.2 1 UNL1 -0.4775 12 N -4.3884 -1.8554 -0.1395 N.2 1 UNL1 0.4675 13 N -4.4826 -2.9741 -0.0801 N.2 1 UNL1 -0.0161 14 C 2.3295 2.2275 1.0238 C.2 1 UNL1 0.3458 15 C 0.9936 1.7865 0.6482 C.3 1 UNL1 0.1799 16 C 3.4978 1.4386 0.3955 C.2 1 UNL1 0.3759 17 C -1.2200 1.1469 0.1503 C.ar 1 UNL1 -0.0402 18 C 3.2116 0.9701 -0.9779 C.2 1 UNL1 0.0483 19 C 0.5494 -0.5831 0.4126 C.ar 1 UNL1 0.2981 20 C -2.1818 0.0340 0.0683 C.ar 1 UNL1 -0.1272 21 C -1.7503 2.3473 -0.0648 C.ar 1 UNL1 0.1233 22 C -0.5447 -1.5645 0.3539 C.ar 1 UNL1 -0.0432 23 C -3.0457 2.7873 -0.3552 C.ar 1 UNL1 -0.4773 24 C 4.0252 -0.0381 -1.4968 C.1 1 UNL1 0.4567 25 C -3.5168 0.3190 -0.1539 C.ar 1 UNL1 0.3428 26 C -4.0220 1.6871 -0.3164 C.ar 1 UNL1 -0.4858 27 C -0.0116 -3.0521 0.4696 C.2 1 UNL1 0.6317 28 C -3.2970 4.0668 -0.6567 C.2 1 UNL1 0.5226 29 C -5.3422 1.9013 -0.4217 C.2 1 UNL1 0.5450 30 C 2.2530 -2.2849 0.1858 C.1 1 UNL1 0.7377 @BOND 1 4 24 2 2 3 18 1 3 24 18 2 4 18 16 1 5 28 23 2 6 29 26 2 7 23 26 ar 8 23 21 ar 9 26 25 ar 10 11 25 1 11 11 12 2 12 25 20 ar 13 12 13 2 14 6 30 2 15 21 17 ar 16 20 17 ar 17 20 8 ar 18 17 7 ar 19 30 10 am 20 30 9 2 21 8 22 ar 22 10 27 am 23 22 19 ar 24 22 27 1 25 16 2 2 26 16 14 1 27 9 19 1 28 19 7 ar 29 7 15 1 30 27 5 2 31 15 14 1 32 14 1 2