@MOLECULE 1-(8-chloro-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-1-deoxy-5-o-phosphono-d-ribitol 49 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 0.7097 4.0978 1.0186 Cl 1 UNL1 -0.0435 2 P 5.2740 -0.6392 -1.4287 P.3 1 UNL1 0.3568 3 O 0.0214 -2.7916 0.7274 O.3 1 UNL1 -0.5668 4 O 1.4668 -0.0039 2.3589 O.3 1 UNL1 -0.6038 5 O 3.6622 -1.7782 2.2292 O.3 1 UNL1 -0.5867 6 O 4.1571 -1.3618 -0.5614 O.3 1 UNL1 -0.2321 7 O -6.0267 -0.5841 -1.8231 O.2 1 UNL1 -0.3937 8 O -4.0477 -4.2598 -0.0637 O.2 1 UNL1 -0.4129 9 O 5.8257 0.4668 -0.4198 O.3 1 UNL1 -0.3355 10 O 4.5275 0.3027 -2.4852 O.3 1 UNL1 -0.4167 11 O 6.1904 -1.6362 -1.9479 O.2 1 UNL1 -0.2513 12 N -1.9902 -0.2098 0.7825 N.ar 1 UNL1 -0.2962 13 N -3.8804 1.0358 -0.9157 N.ar 1 UNL1 -0.1731 14 N -2.9879 -2.2692 0.3519 N.ar 1 UNL1 -0.6173 15 N -5.0396 -2.4095 -0.9289 N.ar 1 UNL1 -0.6726 16 C 0.1716 -1.4202 0.9997 C.3 1 UNL1 0.1122 17 C 1.4096 -1.3498 1.9209 C.3 1 UNL1 0.1082 18 C -1.0668 -0.8577 1.7308 C.3 1 UNL1 -0.1481 19 C 2.7079 -1.7193 1.1819 C.3 1 UNL1 0.0806 20 C -1.8299 1.1296 0.4303 C.ar 1 UNL1 0.1708 21 C -2.9819 -0.9654 0.1763 C.ar 1 UNL1 0.3781 22 C 3.1313 -0.6409 0.1647 C.3 1 UNL1 -0.0790 23 C -2.7982 1.7402 -0.4164 C.ar 1 UNL1 -0.0190 24 C -3.9668 -0.2292 -0.6455 C.ar 1 UNL1 -0.0605 25 C -0.7332 1.8961 0.8758 C.ar 1 UNL1 -0.2594 26 C -2.6698 3.0997 -0.7801 C.ar 1 UNL1 -0.0706 27 C -1.5947 3.8477 -0.3392 C.ar 1 UNL1 -0.0278 28 C -0.6427 3.2111 0.4819 C.ar 1 UNL1 0.0658 29 C -5.1059 -1.0345 -1.1932 C.ar 1 UNL1 0.5845 30 C -4.0083 -3.0640 -0.1899 C.ar 1 UNL1 0.7149 31 C -1.4447 5.2748 -0.7237 C.3 1 UNL1 -0.4405 32 H 0.3453 -0.8988 0.0314 H 1 UNL1 0.1393 33 H 1.2829 -2.0021 2.8180 H 1 UNL1 0.1581 34 H -1.6011 -1.6920 2.2607 H 1 UNL1 0.2022 35 H -0.7832 -0.1317 2.5308 H 1 UNL1 0.1877 36 H 2.6324 -2.7284 0.7093 H 1 UNL1 0.1664 37 H 2.3084 -0.3772 -0.5275 H 1 UNL1 0.1392 38 H 3.4762 0.2758 0.6803 H 1 UNL1 0.1512 39 H -0.9246 -3.0024 0.5130 H 1 UNL1 0.3665 40 H 0.0428 1.4478 1.5121 H 1 UNL1 0.2237 41 H 2.3312 0.1594 2.8006 H 1 UNL1 0.3546 42 H -3.4432 3.5364 -1.4229 H 1 UNL1 0.1941 43 H 4.5643 -1.8898 1.8585 H 1 UNL1 0.3465 44 H -5.7856 -2.9996 -1.3123 H 1 UNL1 0.3484 45 H -2.2592 5.6293 -1.3725 H 1 UNL1 0.1645 46 H -1.4333 5.9366 0.1584 H 1 UNL1 0.1723 47 H -0.5045 5.4549 -1.2710 H 1 UNL1 0.1712 48 H 6.3737 1.1494 -0.9565 H 1 UNL1 0.3209 49 H 4.3221 -0.2329 -3.3283 H 1 UNL1 0.3287 @BOND 1 49 10 1 2 10 2 1 3 11 2 2 4 7 29 2 5 2 6 1 6 2 9 1 7 42 26 1 8 45 31 1 9 44 15 1 10 47 31 1 11 29 15 ar 12 29 24 ar 13 48 9 1 14 15 30 ar 15 13 24 ar 16 13 23 ar 17 26 23 ar 18 26 27 ar 19 31 27 1 20 31 46 1 21 24 21 ar 22 6 22 1 23 37 22 1 24 23 20 ar 25 27 28 ar 26 30 8 2 27 30 14 ar 28 32 16 1 29 22 38 1 30 22 19 1 31 21 14 ar 32 21 12 ar 33 20 12 ar 34 20 25 ar 35 28 25 ar 36 28 1 1 37 39 3 1 38 36 19 1 39 3 16 1 40 12 18 1 41 25 40 1 42 16 18 1 43 16 17 1 44 19 17 1 45 19 5 1 46 18 34 1 47 18 35 1 48 43 5 1 49 17 4 1 50 17 33 1 51 4 41 1