@MOLECULE [(2R,3S,4S)-5-(8-chloro-7-methyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate 49 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 0.7129 4.0968 1.0169 Cl 1 UNL1 -0.0435 2 P 5.2723 -0.6411 -1.4287 P.3 1 UNL1 0.3568 3 O 0.0201 -2.7918 0.7296 O.3 1 UNL1 -0.5668 4 O 1.4659 -0.0040 2.3606 O.3 1 UNL1 -0.6038 5 O 3.6618 -1.7731 2.2293 O.3 1 UNL1 -0.5867 6 O 4.1538 -1.3627 -0.5627 O.3 1 UNL1 -0.2319 7 O -6.0273 -0.5823 -1.8217 O.2 1 UNL1 -0.3937 8 O -4.0478 -4.2590 -0.0655 O.2 1 UNL1 -0.4129 9 O 5.8241 0.4656 -0.4206 O.3 1 UNL1 -0.3355 10 O 4.5282 0.3003 -2.4872 O.3 1 UNL1 -0.4165 11 O 6.1887 -1.6397 -1.9451 O.2 1 UNL1 -0.2515 12 N -1.9905 -0.2094 0.7835 N.ar 1 UNL1 -0.2962 13 N -3.8786 1.0366 -0.9169 N.ar 1 UNL1 -0.1731 14 N -2.9880 -2.2686 0.3518 N.ar 1 UNL1 -0.6173 15 N -5.0396 -2.4081 -0.9291 N.ar 1 UNL1 -0.6726 16 C 0.1704 -1.4204 1.0014 C.3 1 UNL1 0.1120 17 C 1.4086 -1.3498 1.9220 C.3 1 UNL1 0.1082 18 C -1.0676 -0.8572 1.7323 C.3 1 UNL1 -0.1481 19 C 2.7067 -1.7185 1.1824 C.3 1 UNL1 0.0806 20 C -1.8292 1.1298 0.4309 C.ar 1 UNL1 0.1708 21 C -2.9818 -0.9647 0.1766 C.ar 1 UNL1 0.3781 22 C 3.1278 -0.6416 0.1627 C.3 1 UNL1 -0.0792 23 C -2.7965 1.7406 -0.4167 C.ar 1 UNL1 -0.0190 24 C -3.9661 -0.2282 -0.6459 C.ar 1 UNL1 -0.0605 25 C -0.7319 1.8958 0.8760 C.ar 1 UNL1 -0.2594 26 C -2.6675 3.1000 -0.7807 C.ar 1 UNL1 -0.0707 27 C -1.5924 3.8477 -0.3393 C.ar 1 UNL1 -0.0277 28 C -0.6405 3.2106 0.4817 C.ar 1 UNL1 0.0658 29 C -5.1060 -1.0329 -1.1926 C.ar 1 UNL1 0.5845 30 C -4.0082 -3.0631 -0.1907 C.ar 1 UNL1 0.7149 31 C -1.4421 5.2750 -0.7234 C.3 1 UNL1 -0.4405 32 H 0.3441 -0.8992 0.0328 H 1 UNL1 0.1392 33 H 1.2824 -2.0021 2.8190 H 1 UNL1 0.1581 34 H -1.6024 -1.6909 2.2625 H 1 UNL1 0.2022 35 H -0.7838 -0.1309 2.5320 H 1 UNL1 0.1877 36 H 2.6323 -2.7287 0.7120 H 1 UNL1 0.1664 37 H 2.3038 -0.3817 -0.5296 H 1 UNL1 0.1392 38 H 3.4710 0.2770 0.6757 H 1 UNL1 0.1513 39 H -0.9259 -3.0023 0.5143 H 1 UNL1 0.3665 40 H 0.0441 1.4471 1.5121 H 1 UNL1 0.2237 41 H 2.3308 0.1590 2.8018 H 1 UNL1 0.3547 42 H -3.4403 3.5362 -1.4247 H 1 UNL1 0.1941 43 H 4.5639 -1.8814 1.8578 H 1 UNL1 0.3465 44 H -5.7851 -2.9981 -1.3133 H 1 UNL1 0.3484 45 H -2.2562 5.6300 -1.3724 H 1 UNL1 0.1644 46 H -1.4308 5.9367 0.1588 H 1 UNL1 0.1723 47 H -0.5020 5.4549 -1.2709 H 1 UNL1 0.1712 48 H 6.3765 1.1448 -0.9573 H 1 UNL1 0.3209 49 H 4.3229 -0.2356 -3.3302 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