@MOLECULE manganese(0) carbonyl 22 10 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -8.9580 -5.7344 12.9424 O.2 1 UNL1 -0.4348 2 C -9.0013 -4.6103 13.1234 C.2 1 UNL1 0.4348 3 O 5.2510 -2.2192 1.7495 O.2 2 UNL2 -0.4394 4 C 5.5028 -1.5345 0.8742 C.2 2 UNL2 0.4392 5 O 4.9883 11.0559 -0.9749 O.2 3 UNL3 -0.4354 6 C 4.9602 11.7842 -1.8508 C.2 3 UNL3 0.4354 7 O 0.5560 2.9099 -2.8862 O.2 4 UNL4 -0.4391 8 C -0.4561 3.3571 -2.6138 C.2 4 UNL4 0.4391 9 O 8.7248 1.2715 0.3196 O.2 5 UNL5 -0.4324 10 C 7.9540 0.6523 0.8849 C.2 5 UNL5 0.4326 11 O 23.1442 -5.4480 -11.9394 O.2 6 UNL6 -0.4356 12 C 22.3587 -5.0849 -11.1982 C.2 6 UNL6 0.4356 13 O -0.0336 24.6979 6.1920 O.2 7 UNL7 -0.4351 14 C 0.2372 24.2781 5.1679 C.2 7 UNL7 0.4351 15 O 19.2872 -5.5642 2.1382 O.2 8 UNL8 -0.4361 16 C 18.2908 -5.0135 2.0892 C.2 8 UNL8 0.4361 17 O 0.4575 -6.8285 8.9198 O.2 9 UNL9 -0.4358 18 C -0.4395 -7.4692 9.2077 C.2 9 UNL9 0.4358 19 O -3.8025 -9.8767 7.1154 O.2 10 UNL10 -0.4344 20 C -3.0097 -9.1535 6.7324 C.2 10 UNL10 0.4344 21 MN -26.3261 -1.7050 -7.2769 Mn 1 UNL1 -0.0039 22 MN 1.7332 -1.1122 -4.4901 Mn 2 UNL2 0.0039 @BOND 1 11 12 2 2 7 8 2 3 6 5 2 4 9 10 2 5 4 3 2 6 16 15 2 7 14 13 2 8 20 19 2 9 17 18 2 10 1 2 2