@MOLECULE [(2s,3r,7s,12s,13s,17s,18s,19r)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3-[3-[2-[[(2s,5s)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-oxido-phosphoryl]oxypropylamino]-3-oxo-propyl]-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1h-corrin-22,23,24-triium-21-yl]cobalt 91 99 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.7584 2.6079 -2.4112 C.2 1 UNL1 0.3587 2 C -4.1350 2.3902 -1.0709 C.2 1 UNL1 -0.2778 3 C -2.8879 2.5620 -0.6775 C.3 1 UNL1 0.3506 4 N -1.7018 2.5101 -0.4259 N.am 1 UNL1 -0.4237 5 C -0.6928 3.3516 0.1357 C.2 1 UNL1 0.6722 6 O -0.7283 4.5400 -0.0324 O.2 1 UNL1 -0.3815 7 C 0.3186 2.5867 0.7722 C.1 1 UNL1 -0.1648 8 C 1.2249 1.9216 1.2264 C.1 1 UNL1 0.1018 9 C 2.3348 1.1835 1.6996 C.3 1 UNL1 -0.1372 10 C 2.4503 -0.2299 0.9376 C.3 1 UNL1 0.3680 11 C 2.3448 0.6907 3.1603 C.2 1 UNL1 -0.0384 12 C 1.3805 0.5671 4.0031 C.1 1 UNL1 -0.0741 13 C 0.2989 0.4194 4.9005 C.1 1 UNL1 0.4416 14 O -0.3300 -0.6112 5.0366 O.2 1 UNL1 -0.3196 15 N -0.0138 1.5870 5.6365 N.am 1 UNL1 -0.1028 16 C 3.7879 0.4009 3.2612 C.3 1 UNL1 0.0886 17 N 4.4853 1.5540 2.7398 N.3 1 UNL1 -0.5218 18 CO 6.1138 0.9120 1.8029 Co.oh 1 UNL1 2.0530 19 C 3.6722 1.8982 1.5696 C.3 1 UNL1 0.1399 20 C 4.4531 2.3549 0.5176 C.2 1 UNL1 -0.1226 21 C 5.7563 1.8001 0.8066 C.2 1 UNL1 -0.7469 22 C 4.0686 3.1896 -0.6138 C.2 1 UNL1 0.2063 23 N 2.9078 2.7523 -1.2770 N.pl3 1 UNL1 -0.2561 24 C 2.8200 1.8778 -2.1601 C.3 1 UNL1 0.2204 25 C 2.6530 0.8301 -2.8641 C.3 1 UNL1 -0.1111 26 C 2.5582 -0.5363 -2.8715 C.3 1 UNL1 0.2053 27 N 1.9211 -1.0635 -1.7004 N.3 1 UNL1 -0.2922 28 C 2.4227 -2.2342 -1.4367 C.3 1 UNL1 0.2806 29 C 2.4041 -2.8281 -0.1185 C.2 1 UNL1 -0.6339 30 C 1.4291 -3.6241 0.3314 C.2 1 UNL1 0.6310 31 C 3.5313 -2.3334 0.6850 C.3 1 UNL1 0.2920 32 N 3.3527 -1.1180 1.4220 N.3 1 UNL1 -0.4989 33 C 4.3451 -0.9005 2.5863 C.3 1 UNL1 0.3184 34 C 5.6330 -0.3320 2.0719 C.3 1 UNL1 -0.8883 35 C 4.3634 -2.0658 3.4940 C.2 1 UNL1 -0.7833 36 C 5.7560 -2.4080 3.9235 C.3 1 UNL1 0.5232 37 C 3.3255 -2.6809 4.0228 C.2 1 UNL1 0.4919 38 C 5.9409 -4.8894 4.3308 C.1 1 UNL1 0.5908 39 O 6.0905 -6.0307 4.5049 O.2 1 UNL1 -0.2411 40 N 6.0739 -3.6626 4.2182 N.2 1 UNL1 -0.6178 41 C 4.7019 -2.9430 0.6185 C.3 1 UNL1 -0.1171 42 C 5.8965 -3.4879 0.5648 C.1 1 UNL1 0.0673 43 C 7.0320 -3.9690 0.4889 C.1 1 UNL1 -0.1317 44 C 8.3507 -4.5003 0.4250 C.2 1 UNL1 0.4729 45 O 8.7944 -5.3326 1.1881 O.2 1 UNL1 -0.3142 46 N 9.1472 -3.9683 -0.6109 N.am 1 UNL1 -0.1147 47 C 3.3160 -2.7620 -2.6207 C.3 1 UNL1 -0.2480 48 C 4.7264 -2.8834 -2.1112 C.3 1 UNL1 0.2837 49 C 2.7940 -3.9184 -3.1954 C.3 1 UNL1 -0.1135 50 C 2.2684 -5.0411 -3.8530 C.2 1 UNL1 0.4318 51 O 1.2688 -5.6420 -3.5140 O.2 1 UNL1 -0.3316 52 N 3.0424 -5.4105 -4.9770 N.am 1 UNL1 -0.1210 53 C 3.2927 -1.5310 -3.5325 C.3 1 UNL1 -0.0578 54 C 3.9236 -1.4560 -4.7564 C.1 1 UNL1 0.0368 55 C 4.4515 -1.3852 -5.8508 C.1 1 UNL1 -0.1432 56 C 5.1019 -1.3038 -7.1207 C.2 1 UNL1 0.4196 57 O 6.3109 -1.5023 -7.2604 O.2 1 UNL1 -0.2660 58 N 4.3209 -0.9830 -8.2012 N.am 1 UNL1 -0.0976 59 C 4.2907 5.1415 -2.0897 C.2 1 UNL1 -0.6895 60 C 4.8670 6.1758 -2.7864 C.2 1 UNL1 0.3472 61 C 3.1673 5.1739 -2.8843 C.3 1 UNL1 0.3554 62 C 4.6862 4.3552 -0.9520 C.2 1 UNL1 0.0226 63 C 5.7504 4.8629 -0.1853 C.1 1 UNL1 0.0920 64 C 6.6683 5.3260 0.4612 C.1 1 UNL1 -0.2299 65 C 7.7513 5.8831 1.1930 C.2 1 UNL1 0.4335 66 O 8.5342 6.7109 0.7180 O.2 1 UNL1 -0.2754 67 N 7.9101 5.4421 2.4829 N.am 1 UNL1 -0.1266 68 O -5.0427 1.7742 -0.1705 O.2 1 UNL1 -0.1295 69 P -6.3853 1.3775 -1.0104 P.3 1 UNL1 0.3466 70 O -6.7733 -0.0153 -0.9595 O.2 1 UNL1 -0.2152 71 O -5.9335 2.0813 -2.4273 O.2 1 UNL1 -0.2160 72 O -7.4611 2.4747 -0.4655 O.3 1 UNL1 -0.1593 73 C -8.7069 2.0346 -0.2392 C.3 1 UNL1 0.0565 74 C -9.1985 1.6132 1.0924 C.2 1 UNL1 0.4100 75 O -8.7998 1.8851 2.1818 O.2 1 UNL1 -0.2867 76 C -10.3810 0.7222 0.7294 C.2 1 UNL1 0.2587 77 O -10.7267 0.9246 -0.6128 O.2 1 UNL1 -0.2612 78 C -9.7185 1.7262 -1.1829 C.2 1 UNL1 -0.0960 79 C -9.8546 2.0927 -2.4622 C.1 1 UNL1 0.3894 80 O -9.9417 2.4355 -3.5618 O.2 1 UNL1 -0.1660 81 N -10.8985 -0.1887 1.4514 N.2 1 UNL1 -0.3285 82 C -12.3506 -1.3553 4.4941 C.1 1 UNL1 0.3504 83 N -12.4462 -1.6609 3.3537 N.1 1 UNL1 -0.4991 84 C -12.4762 -2.0081 2.0372 C.ar 1 UNL1 0.1647 85 C -13.1239 -3.0546 1.5079 C.ar 1 UNL1 -0.0230 86 C -13.2715 -3.5852 0.2159 C.ar 1 UNL1 -0.4286 87 C -14.0427 -4.6477 -0.0242 C.3 1 UNL1 0.4535 88 C -12.4862 -2.8203 -0.7867 C.ar 1 UNL1 -0.4296 89 C -12.3329 -3.1538 -2.0682 C.3 1 UNL1 0.4567 90 C -11.8576 -1.7004 -0.2281 C.ar 1 UNL1 0.0085 91 C -11.7219 -1.2064 1.0135 C.ar 1 UNL1 0.0585 @BOND 1 58 56 am 2 57 56 2 3 56 55 1 4 55 54 3 5 52 50 am 6 54 53 1 7 50 51 2 8 50 49 1 9 80 79 2 10 53 26 1 11 53 47 1 12 49 47 1 13 61 59 1 14 26 25 1 15 26 27 1 16 25 24 1 17 60 59 2 18 47 48 1 19 47 28 1 20 79 78 2 21 71 1 1 22 71 69 1 23 1 2 2 24 24 23 1 25 59 62 1 26 89 88 1 27 27 28 1 28 28 29 1 29 23 22 1 30 78 77 1 31 78 73 1 32 2 3 1 33 2 68 1 34 69 70 2 35 69 72 1 36 69 68 1 37 62 22 2 38 62 63 1 39 88 90 ar 40 88 86 ar 41 3 4 1 42 22 20 1 43 77 76 1 44 46 44 am 45 72 73 1 46 4 5 am 47 73 74 1 48 90 91 ar 49 63 64 3 50 29 30 2 51 29 31 1 52 6 5 2 53 87 86 1 54 5 7 1 55 86 85 ar 56 44 43 1 57 44 45 2 58 64 65 1 59 43 42 3 60 20 21 2 61 20 19 1 62 42 41 1 63 41 31 1 64 31 32 1 65 66 65 2 66 76 74 1 67 76 81 2 68 7 8 3 69 21 18 1 70 10 32 1 71 10 9 1 72 91 81 1 73 91 84 ar 74 74 75 2 75 65 67 am 76 8 9 1 77 32 33 1 78 85 84 ar 79 19 9 1 80 19 17 1 81 9 11 1 82 18 34 1 83 18 17 1 84 84 83 1 85 34 33 1 86 33 16 1 87 33 35 1 88 17 16 1 89 11 16 1 90 11 12 2 91 83 82 3 92 35 36 1 93 35 37 2 94 36 40 1 95 12 13 2 96 40 38 2 97 38 39 2 98 13 14 2 99 13 15 am