@MOLECULE tert-butylacetat 20 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.0122 -1.2569 -0.0003 C.3 1 UNL1 -0.4835 2 C -1.0763 -0.0417 -0.0000 C.3 1 UNL1 0.3697 3 O 0.2169 -0.6825 0.0002 O.3 1 UNL1 -0.4780 4 C 1.3559 0.0380 0.0001 C.2 1 UNL1 0.6496 5 O 1.3995 1.2418 -0.0000 O.2 1 UNL1 -0.5325 6 C 2.5262 -0.8921 -0.0000 C.3 1 UNL1 -0.5146 7 H -3.0606 -0.9445 -0.0025 H 1 UNL1 0.1551 8 H -1.8402 -1.8875 -0.8808 H 1 UNL1 0.1592 9 H -1.8436 -1.8853 0.8824 H 1 UNL1 0.1591 10 C -1.2300 0.7895 1.2693 C.3 1 UNL1 -0.5098 11 C -1.2296 0.7897 -1.2692 C.3 1 UNL1 -0.5098 12 H 2.2254 -1.9505 0.0042 H 1 UNL1 0.1823 13 H 3.1516 -0.7201 -0.8896 H 1 UNL1 0.1838 14 H 3.1565 -0.7143 0.8850 H 1 UNL1 0.1838 15 H -2.2500 1.1714 -1.3750 H 1 UNL1 0.1560 16 H -0.5523 1.6570 -1.2637 H 1 UNL1 0.1795 17 H -0.9939 0.2012 -2.1630 H 1 UNL1 0.1573 18 H -2.2504 1.1713 1.3747 H 1 UNL1 0.1560 19 H -0.9948 0.2008 2.1630 H 1 UNL1 0.1573 20 H -0.5525 1.6566 1.2642 H 1 UNL1 0.1795 @BOND 1 17 11 1 2 15 11 1 3 11 16 1 4 11 2 1 5 13 6 1 6 8 1 1 7 7 1 1 8 1 2 1 9 1 9 1 10 2 3 1 11 2 10 1 12 6 4 1 13 6 12 1 14 6 14 1 15 5 4 2 16 4 3 1 17 20 10 1 18 10 18 1 19 10 19 1