@MOLECULE 2-dodecylnicotinamide 51 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.6744 -2.2356 0.9698 O.2 1 UNL1111111111 -0.5007 2 N 5.0718 1.9102 -0.2450 N.ar 1 UNL1111111111 -0.4038 3 N 4.7244 -2.5058 -1.0023 N.am 1 UNL1111111111 -0.6926 4 C -2.9879 0.2627 0.1944 C.3 1 UNL1111111111 -0.2724 5 C -1.7917 0.1705 -0.7617 C.3 1 UNL1111111111 -0.2749 6 C -4.3058 0.0603 -0.5633 C.3 1 UNL1111111111 -0.2732 7 C -0.4769 0.3611 0.0047 C.3 1 UNL1111111111 -0.2688 8 C -5.5013 0.1547 0.3934 C.3 1 UNL1111111111 -0.2719 9 C 0.7171 0.3850 -0.9575 C.3 1 UNL1111111111 -0.2647 10 C -6.8194 -0.0480 -0.3645 C.3 1 UNL1111111111 -0.2750 11 C 2.0257 0.5520 -0.1772 C.3 1 UNL1111111111 -0.2662 12 C -8.0146 0.0443 0.5924 C.3 1 UNL1111111111 -0.2720 13 C 3.2185 0.6329 -1.1435 C.3 1 UNL1111111111 -0.2985 14 C -9.3345 -0.1568 -0.1641 C.3 1 UNL1111111111 -0.2512 15 C 4.4959 0.6947 -0.3610 C.ar 1 UNL1111111111 0.2437 16 C -10.5278 -0.0641 0.7870 C.3 1 UNL1111111111 -0.4398 17 C 5.0668 -0.4435 0.2368 C.ar 1 UNL1111111111 -0.2580 18 C 6.2295 -0.3078 0.9929 C.ar 1 UNL1111111111 -0.0315 19 C 4.4200 -1.7754 0.1321 C.2 1 UNL1111111111 0.6052 20 C 6.2005 2.0339 0.4753 C.ar 1 UNL1111111111 0.0885 21 C 6.8138 0.9494 1.1169 C.ar 1 UNL1111111111 -0.2693 22 H -2.8913 -0.4941 0.9954 H 1 UNL1111111111 0.1386 23 H -2.9908 1.2448 0.7034 H 1 UNL1111111111 0.1363 24 H -1.7921 -0.8076 -1.2781 H 1 UNL1111111111 0.1357 25 H -1.8842 0.9333 -1.5565 H 1 UNL1111111111 0.1340 26 H -4.3035 -0.9218 -1.0710 H 1 UNL1111111111 0.1361 27 H -4.4020 0.8156 -1.3652 H 1 UNL1111111111 0.1352 28 H -0.3500 -0.4521 0.7453 H 1 UNL1111111111 0.1432 29 H -0.5104 1.3003 0.5879 H 1 UNL1111111111 0.1378 30 H -5.4054 -0.6012 1.1950 H 1 UNL1111111111 0.1371 31 H -5.5037 1.1372 0.9012 H 1 UNL1111111111 0.1364 32 H 0.7452 -0.5494 -1.5487 H 1 UNL1111111111 0.1362 33 H 0.6001 1.2080 -1.6864 H 1 UNL1111111111 0.1357 34 H -6.9160 0.7085 -1.1654 H 1 UNL1111111111 0.1358 35 H -6.8167 -1.0299 -0.8730 H 1 UNL1111111111 0.1361 36 H 2.1582 -0.2947 0.5288 H 1 UNL1111111111 0.1622 37 H 1.9890 1.4641 0.4492 H 1 UNL1111111111 0.1485 38 H -7.9194 -0.7125 1.3928 H 1 UNL1111111111 0.1367 39 H -8.0177 1.0254 1.1025 H 1 UNL1111111111 0.1364 40 H 3.1148 1.5317 -1.7916 H 1 UNL1111111111 0.1747 41 H 3.2196 -0.2373 -1.8294 H 1 UNL1111111111 0.1558 42 H -9.4302 0.5999 -0.9654 H 1 UNL1111111111 0.1332 43 H -9.3326 -1.1388 -0.6734 H 1 UNL1111111111 0.1334 44 H -11.4735 -0.2071 0.2531 H 1 UNL1111111111 0.1396 45 H -10.4740 -0.8265 1.5721 H 1 UNL1111111111 0.1424 46 H -10.5720 0.9137 1.2795 H 1 UNL1111111111 0.1422 47 H 6.6725 -1.1778 1.4825 H 1 UNL1111111111 0.1659 48 H 6.6155 3.0481 0.5325 H 1 UNL1111111111 0.1711 49 H 7.7192 1.0915 1.6986 H 1 UNL1111111111 0.1708 50 H 4.3309 -3.4172 -1.1310 H 1 UNL1111111111 0.3149 51 H 5.3420 -2.1717 -1.7067 H 1 UNL1111111111 0.3053 @BOND 1 1 19 2 2 2 15 ar 3 2 20 ar 4 3 19 am 5 3 50 1 6 3 51 1 7 4 5 1 8 4 6 1 9 4 22 1 10 4 23 1 11 5 7 1 12 5 24 1 13 5 25 1 14 6 8 1 15 6 26 1 16 6 27 1 17 7 9 1 18 7 28 1 19 7 29 1 20 8 10 1 21 8 30 1 22 8 31 1 23 9 11 1 24 9 32 1 25 9 33 1 26 10 12 1 27 10 34 1 28 10 35 1 29 11 13 1 30 11 36 1 31 11 37 1 32 12 14 1 33 12 38 1 34 12 39 1 35 13 15 1 36 13 40 1 37 13 41 1 38 14 16 1 39 14 42 1 40 14 43 1 41 15 17 ar 42 16 44 1 43 16 45 1 44 16 46 1 45 17 18 ar 46 17 19 1 47 18 21 ar 48 18 47 1 49 20 21 ar 50 20 48 1 51 21 49 1