@MOLECULE ne-acetyllysine 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 O1 1.8668 -1.5229 1.0717 O.3 1 <1> -0.5681 2 O2 2.9795 -1.7041 -0.8509 O.2 1 <1> -0.5068 3 O3 -4.0991 0.2427 -0.8940 O.2 1 <1> -0.5338 4 N1 -2.4870 0.0171 0.6784 N.am 1 <1> -0.6103 5 N2 4.0509 0.9127 -0.4464 N.3 1 <1> -0.6268 6 C1 0.3844 1.1431 0.5089 C.3 1 <1> -0.2740 7 C2 1.6157 1.2443 -0.3946 C.3 1 <1> -0.2823 8 C3 -0.8589 1.6793 -0.2070 C.3 1 <1> -0.3041 9 C4 2.8136 0.4934 0.2210 C.3 1 <1> 0.0002 10 C5 -2.1350 1.4400 0.6227 C.3 1 <1> -0.0665 11 C6 2.5866 -1.0059 0.0445 C.2 1 <1> 0.5781 12 C7 -3.4387 -0.4929 -0.1912 C.2 1 <1> 0.6060 13 C8 -3.6202 -1.9859 -0.1518 C.3 1 <1> -0.5322 14 H1 0.2239 0.0908 0.8156 H 1 <1> 0.1468 15 H2 0.5538 1.7033 1.4488 H 1 <1> 0.1424 16 H3 1.3947 0.8569 -1.4079 H 1 <1> 0.1529 17 H4 1.8984 2.3090 -0.5404 H 1 <1> 0.1713 18 H5 -0.9727 1.2020 -1.2005 H 1 <1> 0.1560 19 H6 -0.7484 2.7614 -0.4081 H 1 <1> 0.1468 20 H7 2.8994 0.7387 1.3149 H 1 <1> 0.1778 21 H8 -2.9867 2.0126 0.1796 H 1 <1> 0.1697 22 H9 -2.0045 1.8125 1.6627 H 1 <1> 0.1357 23 H10 -1.8279 -0.5846 1.1408 H 1 <1> 0.3041 24 H11 4.0372 0.7223 -1.4387 H 1 <1> 0.2669 25 H12 4.8722 0.4906 -0.0426 H 1 <1> 0.2602 26 H13 -4.4549 -2.2791 -0.8106 H 1 <1> 0.1892 27 H14 -2.7273 -2.5172 -0.5036 H 1 <1> 0.1711 28 H15 -3.8621 -2.3443 0.8569 H 1 <1> 0.1734 29 H16 1.7192 -2.4989 1.0044 H 1 <1> 0.3561 @BOND 1 24 5 1 2 16 7 1 3 18 8 1 4 3 12 2 5 2 11 2 6 26 13 1 7 17 7 1 8 27 13 1 9 5 25 1 10 5 9 1 11 19 8 1 12 7 9 1 13 7 6 1 14 8 6 1 15 8 10 1 16 12 13 1 17 12 4 am 18 13 28 1 19 11 9 1 20 11 1 1 21 21 10 1 22 9 20 1 23 6 14 1 24 6 15 1 25 10 4 1 26 10 22 1 27 4 23 1 28 29 1 1