@MOLECULE cobalt; 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-λ1-azanyl-2-oxo-ethyl)-7,12,17-tris(3-λ1-azanyl-3-oxo-propyl)-3,5,8,8,13,15,18,19-octa(methyl)corrin-1,2,7,12,17,21-hexaid-3-yl]propanoylazanidyl]propan-2-olate 69 78 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CO 0.5277 0.3272 -0.6814 Co.oh 1 UNL1 2.0269 2 O -1.0850 -4.3172 0.4134 O.3 1 UNL1 -0.2286 3 O 2.9668 -2.6681 0.8221 O.2 1 UNL1 -0.1910 4 O -5.6099 -1.2895 -1.2681 O.2 1 UNL1 -0.3844 5 O 5.3426 -4.4014 -0.6425 O.2 1 UNL1 -0.1026 6 O -7.2891 -0.8357 -2.8281 O.2 1 UNL1 -0.3027 7 O 5.8679 1.2283 1.5730 O.2 1 UNL1 -0.4189 8 O -2.2857 5.9391 0.7152 O.2 1 UNL1 -0.3692 9 O 10.1745 -0.3475 -0.6580 O.2 2 UNL2 -0.4297 10 N -1.1976 -0.2823 -1.4900 N.3 1 UNL1 -0.5335 11 N 0.9933 -4.6898 3.0056 N.1 1 UNL1 -0.1379 12 N -0.7440 1.6231 -0.1263 N.ar 1 UNL1 -0.7298 13 N 0.6139 -1.8125 -3.9742 N.1 1 UNL1 -0.1965 14 N -4.0672 -5.8098 0.7446 N.1 1 UNL1 -0.1839 15 N 1.2652 -6.2785 -1.0087 N.1 1 UNL1 -0.1449 16 N -6.2742 1.7127 -0.7976 N.1 1 UNL1 -0.2456 17 N 6.1397 -1.0574 0.4537 N.1 1 UNL1 -0.6341 18 N -5.9096 -2.5348 1.7347 N.1 1 UNL1 -0.5284 19 N 5.1523 4.8405 -0.4411 N.1 1 UNL1 -0.5407 20 N -5.0775 5.2872 0.3411 N.1 1 UNL1 -0.5347 21 C -0.3110 -1.3324 -1.5990 C.3 1 UNL1 -0.1028 22 C -0.3398 -2.4652 -0.6947 C.3 1 UNL1 -0.0904 23 C -2.7237 -2.5869 0.0185 C.3 1 UNL1 -0.0201 24 C 0.8249 -2.9940 -0.0760 C.3 1 UNL1 -0.1681 25 C -2.9775 -1.1306 0.0328 C.3 1 UNL1 -0.1083 26 C 1.8519 -0.7887 -0.2040 C.3 1 UNL1 -0.7626 27 C -2.2393 -0.1430 -0.5319 C.3 1 UNL1 0.2356 28 C 0.1956 -1.5974 -2.9176 C.1 1 UNL1 0.1236 29 C 0.7264 -4.5243 1.8951 C.1 1 UNL1 0.0536 30 C -2.1487 1.2960 -0.1997 C.ar 1 UNL1 0.2075 31 C 1.8634 1.4492 -0.1124 C.2 1 UNL1 -0.6002 32 C -4.5316 0.1309 1.5768 C.1 1 UNL1 -0.6565 33 C 0.6772 3.5802 0.2128 C.2 1 UNL1 -0.0372 34 C -0.5984 2.9928 0.1511 C.ar 1 UNL1 0.2330 35 C 2.7058 0.2778 0.0719 C.2 1 UNL1 0.2890 36 C -2.8751 2.4366 -0.0230 C.ar 1 UNL1 -0.0519 37 C -3.8446 -3.2579 0.6076 C.2 1 UNL1 -0.0515 38 C 1.9240 2.8140 0.0953 C.3 1 UNL1 0.1517 39 C -1.4627 -3.1292 -0.1878 C.3 1 UNL1 0.1932 40 C 3.2956 3.3931 0.2457 C.2 1 UNL1 -0.0077 41 C -1.9096 3.5370 0.2445 C.ar 1 UNL1 -0.1899 42 C 0.3937 -4.3252 0.4910 C.3 1 UNL1 0.3018 43 C 1.9098 -2.1581 0.1008 C.3 1 UNL1 0.2938 44 C -4.1475 -0.9430 0.9244 C.3 1 UNL1 0.2911 45 C 4.0786 0.1390 0.4593 C.3 1 UNL1 -0.3397 46 C 0.8219 4.9427 0.3742 C.2 1 UNL1 -0.0668 47 C -4.2007 3.0193 -0.0550 C.2 1 UNL1 -0.0977 48 C -6.4525 -1.0419 -2.0428 C.1 1 UNL1 0.6864 49 C 4.2050 2.5448 0.6591 C.1 1 UNL1 -0.1288 50 C -2.6528 4.6979 0.4346 C.2 1 UNL1 0.1977 51 C 4.8186 1.3168 0.9706 C.2 1 UNL1 0.4888 52 C -4.9470 1.1287 2.2742 C.1 1 UNL1 0.3850 53 C 1.7420 5.8146 0.3699 C.2 1 UNL1 -0.0179 54 C 3.0459 5.8292 0.1630 C.2 1 UNL1 -0.0215 55 C -3.9721 -4.6574 0.6816 C.1 1 UNL1 0.1192 56 C 4.7645 -1.0646 0.3987 C.3 1 UNL1 0.4953 57 C -4.7325 -2.3053 1.1159 C.2 1 UNL1 0.2186 58 C 0.8696 -5.4280 -0.3370 C.1 1 UNL1 0.0498 59 C 3.8477 4.7663 -0.0468 C.2 1 UNL1 0.2092 60 C -4.0817 4.3718 0.2457 C.2 1 UNL1 0.2471 61 C -5.3500 2.3140 -0.4403 C.1 1 UNL1 0.1548 62 C 4.1937 -2.3752 0.2545 C.2 1 UNL1 -0.2453 63 C -6.9663 -2.7066 2.2595 C.1 1 UNL1 0.4059 64 C 6.2884 4.9109 -0.7851 C.1 1 UNL1 0.3886 65 C -5.9407 6.0999 0.4405 C.1 1 UNL1 0.3901 66 C 4.8244 -3.4591 -0.2424 C.1 1 UNL1 0.5140 67 C 9.6020 -1.2597 -0.2858 C.2 2 UNL2 0.4241 68 C 7.3069 -0.8280 0.6012 C.1 1 UNL1 0.4817 69 H -1.2841 6.0127 0.7911 H 1 UNL1 0.3448 @BOND 1 13 28 3 2 28 21 1 3 6 48 2 4 48 4 2 5 21 10 1 6 21 22 1 7 10 1 1 8 10 27 1 9 15 58 3 10 16 61 3 11 64 19 3 12 22 39 1 13 22 24 1 14 1 26 1 15 1 12 1 16 1 31 1 17 9 67 2 18 5 66 2 19 27 30 1 20 27 25 1 21 19 59 1 22 61 47 1 23 58 42 1 24 66 62 2 25 26 35 1 26 26 43 1 27 30 12 ar 28 30 36 ar 29 39 23 1 30 39 2 1 31 12 34 ar 32 31 35 2 33 31 38 1 34 24 43 1 35 24 42 1 36 47 36 1 37 47 60 2 38 59 54 2 39 59 40 1 40 36 41 ar 41 23 25 1 42 23 37 1 43 25 44 1 44 35 45 1 45 38 33 1 46 38 40 1 47 43 3 1 48 34 33 2 49 34 41 ar 50 54 53 1 51 33 46 1 52 41 50 2 53 40 49 2 54 60 20 1 55 60 50 1 56 62 56 1 57 62 3 1 58 20 65 3 59 53 46 2 60 56 17 1 61 56 45 1 62 2 42 1 63 50 8 1 64 17 68 3 65 45 51 1 66 42 29 1 67 37 55 1 68 37 57 2 69 49 51 2 70 55 14 3 71 8 69 1 72 44 57 1 73 44 32 1 74 51 7 1 75 57 18 1 76 32 52 3 77 18 63 3 78 29 11 3