@MOLECULE 5-{4-[(6r,6as,7s)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9h)-yl]phenyl}-5-deoxy-1-o-{5-o-[(s)-[(1s)-1,3-dicarboxypropoxy](hydroxy)phosphoryl]-alpha-d-arabinofuranosyl}-d-arabinitol 54 58 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -9.0675 0.6760 1.4817 P.3 1 UNL1 0.4459 2 O 9.1367 2.7077 2.4157 O.2 1 UNL1 -0.2396 3 O -5.1424 -1.5071 -0.6356 O.3 1 UNL1 -0.0502 4 O -3.0976 -2.4277 -1.0199 O.3 1 UNL1 -0.2451 5 O -7.4445 -4.0222 0.3513 O.2 1 UNL1 -0.3290 6 O -4.7052 -5.0055 -0.3780 O.2 1 UNL1 -0.2557 7 O 0.6106 -5.1252 0.8406 O.2 1 UNL1 -0.3760 8 O -0.1118 -4.1183 -1.9544 O.2 1 UNL1 -0.3095 9 O -8.3119 -0.3137 0.0660 O.3 1 UNL1 -0.0795 10 O -0.3245 -1.3304 -0.3523 O.2 1 UNL1 -0.3408 11 O -9.0027 2.0428 0.6020 O.3 1 UNL1 -0.2845 12 O -8.0453 0.6095 2.4853 O.3 1 UNL1 -0.2133 13 O -10.3952 0.1850 1.2423 O.2 1 UNL1 -0.1261 14 O -5.9521 0.9254 -0.1193 O.2 1 UNL1 -0.4806 15 O -5.3972 2.9025 0.9929 O.2 1 UNL1 -0.3301 16 O -8.2794 6.1572 -2.9303 O.co2 1 UNL1 -0.0713 17 O -8.3899 7.3158 -1.0331 O.co2 1 UNL1 -0.3946 18 N 8.7295 0.8410 0.2777 N.pl3 1 UNL1 -0.2884 19 N 6.7945 -0.2251 0.5575 N.pl3 1 UNL1 -0.4398 20 N 10.8183 0.6936 -1.6741 N.2 1 UNL1 -0.2482 21 N 11.9200 2.3844 -0.5758 N.2 1 UNL1 -0.3605 22 N 11.0580 3.4710 1.5000 N.am 1 UNL1 -0.2941 23 N 13.0474 4.1127 0.5074 N.pl3 1 UNL1 -0.0694 24 C 8.6675 -0.0702 -0.7989 C.2 1 UNL1 0.0260 25 C 7.4435 -0.7834 -0.6653 C.2 1 UNL1 -0.0692 26 C 9.7288 -0.1280 -1.7573 C.2 1 UNL1 -0.2956 27 C 7.5669 0.7804 1.1619 C.3 1 UNL1 0.6114 28 C 9.7949 1.6644 0.3976 C.3 1 UNL1 -0.1902 29 C 6.5992 -1.7183 -1.1377 C.2 1 UNL1 0.1643 30 C 10.8761 1.6036 -0.6172 C.2 1 UNL1 0.3323 31 C 9.7415 -1.0048 -2.8289 C.3 1 UNL1 0.5608 32 C 5.5919 -0.8775 0.7241 C.3 1 UNL1 0.3331 33 C 9.9363 2.6167 1.5012 C.2 1 UNL1 0.4499 34 C 5.4243 -1.8745 -0.3788 C.2 1 UNL1 -0.2702 35 C 4.5095 -0.9001 1.5649 C.2 1 UNL1 -0.1629 36 C 12.0233 3.3402 0.4860 C.2 1 UNL1 0.2955 37 C 4.2736 -2.6145 -0.3695 C.2 1 UNL1 0.2458 38 C 3.4704 -1.6390 1.4560 C.2 1 UNL1 0.1390 39 C 3.1622 -2.6107 0.4886 C.2 1 UNL1 -0.0801 40 C 2.0653 -3.3805 0.3661 C.1 1 UNL1 -0.0943 41 C -6.5086 -3.3739 -0.0067 C.2 1 UNL1 0.3855 42 C -5.0954 -3.8746 -0.3722 C.2 1 UNL1 0.2855 43 C -6.4285 -1.9218 -0.2002 C.3 1 UNL1 -0.3222 44 C -4.4104 -2.6474 -0.7376 C.3 1 UNL1 0.1016 45 C 0.9297 -4.1348 0.2138 C.2 1 UNL1 0.3510 46 C -0.0230 -3.6164 -0.8731 C.2 1 UNL1 0.2821 47 C -0.8537 -2.4068 -0.4711 C.2 1 UNL1 0.1634 48 C -7.3767 -1.0129 -0.0387 C.3 1 UNL1 0.5803 49 C -2.2616 -2.6728 -0.0336 C.3 1 UNL1 0.2805 50 C -7.9270 2.6476 0.2313 C.3 1 UNL1 0.2591 51 C -8.1990 3.8866 -0.4265 C.1 1 UNL1 -0.0937 52 C -5.7928 1.9535 0.4385 C.1 1 UNL1 0.7537 53 C -8.2531 4.9621 -0.9890 C.1 1 UNL1 -0.1506 54 C -8.3146 6.2507 -1.6035 C.2 1 UNL1 0.5089 @BOND 1 16 54 ar 2 31 26 1 3 8 46 2 4 26 20 1 5 26 24 2 6 20 30 2 7 54 17 ar 8 54 53 1 9 29 25 2 10 29 34 1 11 4 44 1 12 4 49 1 13 53 51 3 14 46 47 1 15 46 45 1 16 24 25 1 17 24 18 1 18 44 3 1 19 44 42 1 20 25 19 1 21 3 43 1 22 30 21 1 23 30 28 1 24 21 36 2 25 47 10 2 26 47 49 1 27 51 50 1 28 34 37 2 29 34 32 1 30 6 42 2 31 42 41 1 32 37 39 1 33 43 48 1 34 43 41 1 35 14 52 2 36 48 9 1 37 41 5 2 38 9 1 1 39 45 40 2 40 45 7 1 41 50 11 1 42 18 28 1 43 18 27 1 44 40 39 2 45 28 33 1 46 52 15 2 47 36 23 1 48 36 22 1 49 39 38 1 50 19 32 1 51 19 27 1 52 11 1 1 53 32 35 1 54 13 1 2 55 38 35 2 56 1 12 1 57 22 33 am 58 33 2 2