@MOLECULE 6-undecanone 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.3221 0.3692 0.0062 C.3 1 UNL111111111 -0.8111 2 C 5.0157 -0.4238 0.0227 C.3 1 UNL111111111 -0.1907 3 C 3.8016 0.5148 -0.0044 C.3 1 UNL111111111 -0.2793 4 C 2.5012 -0.2954 0.0103 C.3 1 UNL111111111 -0.1988 5 C 1.2788 0.6267 -0.0117 C.3 1 UNL111111111 -0.8897 6 C -0.0003 -0.1754 -0.0180 C.2 1 UNL111111111 0.7382 7 O -0.0010 -1.3795 -0.0282 O.2 1 UNL111111111 -0.3898 8 C -1.2788 0.6280 -0.0116 C.3 1 UNL111111111 -0.7508 9 C -2.5006 -0.2950 0.0102 C.3 1 UNL111111111 -0.2941 10 C -3.8017 0.5136 -0.0043 C.3 1 UNL111111111 -0.2770 11 C -5.0159 -0.4247 0.0228 C.3 1 UNL111111111 -0.2332 12 C -6.3212 0.3703 0.0061 C.3 1 UNL111111111 -0.7407 13 H 6.3840 1.0605 0.8536 H 1 UNL111111111 0.2340 14 H 7.1905 -0.2970 0.0607 H 1 UNL111111111 0.2375 15 H 6.4198 0.9618 -0.9100 H 1 UNL111111111 0.2339 16 H 4.9806 -1.1113 -0.8440 H 1 UNL111111111 0.1448 17 H 4.9756 -1.0689 0.9211 H 1 UNL111111111 0.1431 18 H 3.8356 1.2002 0.8624 H 1 UNL111111111 0.1585 19 H 3.8433 1.1585 -0.9026 H 1 UNL111111111 0.1615 20 H 2.4660 -0.9889 -0.8536 H 1 UNL111111111 0.1446 21 H 2.4629 -0.9496 0.9038 H 1 UNL111111111 0.1513 22 H 1.2954 1.3041 0.8647 H 1 UNL111111111 0.2877 23 H 1.3124 1.2872 -0.9005 H 1 UNL111111111 0.2830 24 H -1.2950 1.3036 0.8663 H 1 UNL111111111 0.2584 25 H -1.3125 1.2881 -0.9009 H 1 UNL111111111 0.2527 26 H -2.4645 -0.9884 -0.8537 H 1 UNL111111111 0.1621 27 H -2.4615 -0.9494 0.9036 H 1 UNL111111111 0.1689 28 H -3.8359 1.1988 0.8629 H 1 UNL111111111 0.1641 29 H -3.8440 1.1569 -0.9027 H 1 UNL111111111 0.1672 30 H -4.9815 -1.1114 -0.8445 H 1 UNL111111111 0.1554 31 H -4.9765 -1.0702 0.9208 H 1 UNL111111111 0.1531 32 H -7.1907 -0.2942 0.0613 H 1 UNL111111111 0.2210 33 H -6.3820 1.0624 0.8532 H 1 UNL111111111 0.2173 34 H -6.4178 0.9624 -0.9105 H 1 UNL111111111 0.2168 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 12 34 1