@MOLECULE cyanocobalt; [(2r,3s,4r,5s)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1s)-1-methyl-2-[3-[(2r,3r,4z,7s,9z,12s,13s,14z,17s,18s,19r)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydrocorrin-3-yl]propanoylamino]ethyl] hydrogen phosphate 93 111 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 6.8680 1.4254 -2.4232 O.2 1 UNL1 -0.0878 2 P 6.0751 2.0123 -1.3798 P.3 1 UNL1 0.4362 3 O 6.8064 2.6345 -0.1437 O.3 1 UNL1 -0.4544 4 C 2.4552 -1.1384 -0.4916 C.3 1 UNL1 0.4378 5 O 1.1519 -0.9171 -0.5801 O.2 1 UNL1 -0.2098 6 C 5.0479 -0.3812 -0.5786 C.2 1 UNL1 0.5398 7 C 6.1712 -1.1623 -0.5820 C.ar 1 UNL1 -0.3341 8 C 6.3451 -2.5943 -0.7111 C.ar 1 UNL1 0.3004 9 O 3.1598 -2.2749 -0.3825 O.2 1 UNL1 -0.2064 10 C 3.7582 -0.8704 -0.5417 C.2 1 UNL1 -0.2872 11 O 5.1005 0.9922 -0.5114 O.2 1 UNL1 -0.5258 12 O 7.4347 -0.4421 -0.5182 O.2 1 UNL1 -0.0954 13 N 7.7269 -2.7026 -0.7406 N.ar 1 UNL1 -0.4007 14 C 11.2931 -4.8801 -1.0318 C.ar 1 UNL1 -0.1905 15 C 10.1500 -5.6252 -1.0887 C.ar 1 UNL1 -0.2212 16 C 8.8948 -4.9689 -0.9955 C.ar 1 UNL1 -0.2700 17 C 11.1975 -3.4773 -0.8824 C.ar 1 UNL1 -0.2838 18 C 10.0030 -2.7906 -0.7890 C.ar 1 UNL1 0.1810 19 C 8.7714 -3.6121 -0.8511 C.ar 1 UNL1 0.1049 20 C 8.3595 -1.3993 -0.6265 C.ar 1 UNL1 0.3892 21 N 9.6926 -1.4364 -0.6485 N.ar 1 UNL1 -0.4069 22 O 5.0525 3.0114 -2.2012 O.3 1 UNL1 -0.1557 23 C 4.0512 3.6714 -1.4576 C.3 1 UNL1 -0.0474 24 C 2.7482 3.6307 -1.7403 C.3 1 UNL1 0.3143 25 C 4.5220 3.6797 -0.1046 C.3 1 UNL1 -0.5059 26 N 1.5333 3.6680 -1.8276 N.am 1 UNL1 -0.4078 27 C 0.6049 2.6740 -1.2442 C.2 1 UNL1 0.6324 28 C 8.9526 -6.4139 -1.1519 C.3 1 UNL1 0.3464 29 C 12.5046 -4.0900 -0.9719 C.3 1 UNL1 0.3616 30 O -0.5561 2.9670 -1.2919 O.2 1 UNL1 -0.3972 31 C 1.2013 1.4791 -0.6966 C.2 1 UNL1 -0.4614 32 C -1.3821 3.6845 2.0681 C.2 1 UNL1 -0.0315 33 C -0.4266 2.9456 2.2480 C.1 1 UNL1 -0.0714 34 C 0.5884 0.2574 -0.7651 C.2 1 UNL1 0.1955 35 C 2.6922 1.6700 1.1173 C.1 1 UNL1 0.5026 36 C 1.5686 1.6131 1.8345 C.1 1 UNL1 -0.1258 37 C 0.3087 1.7426 2.1850 C.1 1 UNL1 -0.0360 38 O 2.5314 1.5786 -0.2699 O.2 1 UNL1 -0.2463 39 N 4.0051 1.8381 1.4134 N.2 1 UNL1 -0.9498 40 C -3.0609 5.1966 1.0354 C.ar 1 UNL1 0.2596 41 C -4.2913 5.2105 0.2639 C.ar 1 UNL1 0.1368 42 C -2.1262 7.3803 0.5882 C.1 1 UNL1 0.6003 43 N -2.2556 6.2979 1.1842 N.2 1 UNL1 -0.4854 44 O -1.7839 8.4380 0.2465 O.2 1 UNL1 -0.2208 45 C -5.0064 4.0395 0.3152 C.ar 1 UNL1 -0.2053 46 C -5.9467 5.1933 -1.2870 C.ar 1 UNL1 0.0305 47 C -6.0827 3.8608 -0.7544 C.ar 1 UNL1 0.1127 48 C -5.0343 5.9055 -0.7895 C.ar 1 UNL1 -0.1146 49 C -9.0814 -0.6157 -1.8324 C.1 1 UNL1 0.0861 50 C -10.2693 -0.4903 -2.0656 C.1 1 UNL1 -0.1124 51 C -7.7250 -0.7433 -1.5739 C.ar 1 UNL1 -0.0889 52 C -11.6128 -0.3415 -2.3242 C.2 1 UNL1 0.3012 53 N -12.6410 0.1150 -2.9199 N.2 1 UNL1 -0.1421 54 O -12.7769 -0.8579 -1.7640 O.2 1 UNL1 -0.2042 55 C -7.1561 -3.2740 -0.8871 C.ar 1 UNL1 0.0475 56 C -7.0436 -1.9630 -1.1858 C.ar 1 UNL1 -0.0052 57 C -5.4388 -1.5499 3.3190 C.2 1 UNL1 0.5043 58 C -1.2020 -4.6586 2.1857 C.2 1 UNL1 -0.5993 59 C -1.9831 -3.7760 1.3887 C.ar 1 UNL1 0.1983 60 C -1.4043 -6.0068 2.2047 C.2 1 UNL1 0.7259 61 C -5.5840 -1.5108 -1.0049 C.ar 1 UNL1 0.1485 62 N -5.4245 -0.2640 -1.3275 N.ar 1 UNL1 -0.2437 63 C -6.7617 0.2618 -1.5714 C.ar 1 UNL1 0.1101 64 C -2.7516 1.6250 1.8747 C.3 1 UNL1 0.4721 65 N -1.9207 0.7781 2.1832 N.2 1 UNL1 -0.3590 66 C -0.5978 0.5773 2.1068 C.2 1 UNL1 0.5488 67 C -4.7188 2.7292 0.8520 C.ar 1 UNL1 0.2136 68 N -5.5574 1.8510 0.3475 N.ar 1 UNL1 -0.3644 69 C -6.3319 2.5166 -0.7264 C.ar 1 UNL1 0.0284 70 C -3.1811 -4.0194 0.7736 C.ar 1 UNL1 -0.2488 71 C -1.6751 -2.3340 1.0674 C.ar 1 UNL1 -0.1029 72 N -2.6140 -1.7723 0.3450 N.ar 1 UNL1 -0.1877 73 C -3.6365 -2.7481 0.1261 C.ar 1 UNL1 0.1446 74 C -4.8554 -2.6270 -0.4397 C.ar 1 UNL1 0.0192 75 C -6.9649 1.6709 -1.6857 C.3 1 UNL1 0.1975 76 C -3.4582 2.7093 1.5362 C.ar 1 UNL1 -0.1259 77 C -4.0694 -5.1088 0.7108 C.ar 1 UNL1 0.2180 78 C -0.3745 -1.7705 1.4370 C.3 1 UNL1 0.4858 79 C -5.4363 -4.9217 0.0983 C.ar 1 UNL1 -0.1820 80 C -5.6251 -6.3880 0.5183 C.ar 1 UNL1 0.5592 81 O -6.4554 -7.2169 0.4701 O.2 1 UNL1 -0.2735 82 N -4.2245 -6.3647 1.0776 N.ar 1 UNL1 -0.4130 83 C -0.1862 -4.1220 3.0054 C.1 1 UNL1 0.1376 84 N 0.6282 -3.6677 3.6915 N.1 1 UNL1 -0.1912 85 O -0.0433 -0.6418 1.8987 O.2 1 UNL1 -0.1880 86 C -5.8476 -3.7701 -0.4097 C.ar 1 UNL1 0.0279 87 C -8.3070 -4.0869 -0.9416 C.1 1 UNL1 0.0799 88 O -4.4160 -1.6117 2.8121 O.2 1 UNL1 -0.5043 89 N -9.2573 -4.7452 -0.9871 N.1 1 UNL1 -0.1303 90 C -2.6769 3.9951 1.6097 C.ar 1 UNL1 0.0406 91 C 6.0690 3.9014 1.6921 C.1 1 UNL1 -0.3188 92 N 6.6658 4.5701 2.4317 N.1 1 UNL1 -0.1681 93 CO 5.1391 2.8375 0.7049 Co.oh 1 UNL1 2.4128 @BOND 1 53 52 2 2 53 54 1 3 1 2 2 4 52 50 1 5 52 54 1 6 22 23 1 7 22 2 1 8 50 49 3 9 49 51 1 10 26 24 1 11 26 27 am 12 24 23 1 13 75 63 1 14 75 69 1 15 51 63 ar 16 51 56 ar 17 63 62 ar 18 23 25 1 19 2 11 1 20 2 3 1 21 62 61 ar 22 30 27 2 23 46 48 ar 24 46 47 ar 25 27 31 1 26 56 61 ar 27 56 55 ar 28 28 15 1 29 28 16 1 30 15 14 ar 31 15 16 ar 32 14 29 1 33 14 17 ar 34 61 74 ar 35 16 19 ar 36 89 87 3 37 29 17 1 38 87 55 1 39 55 86 ar 40 17 18 ar 41 19 18 ar 42 19 13 ar 43 48 41 ar 44 18 21 ar 45 34 31 2 46 34 5 1 47 47 69 ar 48 47 45 ar 49 13 8 ar 50 13 20 ar 51 69 68 ar 52 8 7 ar 53 31 38 1 54 21 20 ar 55 20 12 ar 56 7 6 1 57 7 12 ar 58 5 4 1 59 6 10 2 60 6 11 1 61 10 4 1 62 10 9 1 63 4 9 1 64 74 86 ar 65 74 73 ar 66 86 79 ar 67 38 35 1 68 3 93 1 69 25 93 1 70 79 80 ar 71 79 77 ar 72 73 72 ar 73 73 70 ar 74 44 42 2 75 41 45 ar 76 41 40 ar 77 45 67 ar 78 72 71 ar 79 68 67 ar 80 81 80 2 81 80 82 ar 82 42 43 2 83 93 39 1 84 93 91 1 85 77 70 ar 86 77 82 ar 87 70 59 ar 88 67 76 ar 89 40 43 1 90 40 90 ar 91 71 59 ar 92 71 78 1 93 35 39 2 94 35 36 2 95 59 58 1 96 78 85 1 97 76 90 ar 98 76 64 1 99 90 32 1 100 91 92 3 101 36 37 2 102 64 65 1 103 85 66 1 104 32 33 2 105 66 65 2 106 66 37 1 107 37 33 2 108 58 60 2 109 58 83 1 110 88 57 2 111 83 84 3