@MOLECULE 3-butyl-3-methylheptanenitrile 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8392 -2.4830 -0.0969 C.3 1 UNL111111111 -0.8220 2 C -2.3420 -2.3411 0.1755 C.3 1 UNL111111111 -0.1723 3 C -1.9073 -0.8745 0.0429 C.3 1 UNL111111111 -0.3086 4 C -0.4042 -0.7325 0.3035 C.3 1 UNL111111111 -0.7182 5 C 0.1710 0.6672 0.0045 C.3 1 UNL111111111 0.8152 6 C -0.5966 1.7655 0.8050 C.3 1 UNL111111111 -0.6848 7 C -1.8560 2.1365 0.2069 C.1 1 UNL111111111 0.2475 8 N -2.8641 2.4552 -0.2642 N.1 1 UNL111111111 -0.3518 9 C 0.1116 0.9789 -1.4937 C.3 1 UNL111111111 -1.0113 10 C 1.6420 0.7296 0.4974 C.3 1 UNL111111111 -0.9893 11 C 2.5501 -0.3425 -0.1173 C.3 1 UNL111111111 -0.0592 12 C 4.0047 -0.1318 0.3279 C.3 1 UNL111111111 -0.1918 13 C 4.9140 -1.2062 -0.2684 C.3 1 UNL111111111 -0.8426 14 H -4.4333 -1.8894 0.6077 H 1 UNL111111111 0.2429 15 H -4.0967 -2.1430 -1.1068 H 1 UNL111111111 0.2239 16 H -4.1642 -3.5249 -0.0063 H 1 UNL111111111 0.2473 17 H -2.1027 -2.7175 1.1877 H 1 UNL111111111 0.1625 18 H -1.7688 -2.9726 -0.5291 H 1 UNL111111111 0.1547 19 H -2.4863 -0.2540 0.7525 H 1 UNL111111111 0.1881 20 H -2.1628 -0.4987 -0.9660 H 1 UNL111111111 0.1876 21 H -0.1873 -1.0050 1.3543 H 1 UNL111111111 0.2601 22 H 0.1373 -1.4773 -0.3146 H 1 UNL111111111 0.2257 23 H -0.7550 1.4100 1.8510 H 1 UNL111111111 0.2847 24 H 0.0472 2.6747 0.8947 H 1 UNL111111111 0.2578 25 H 0.5201 1.9704 -1.7173 H 1 UNL111111111 0.2614 26 H 0.6823 0.2488 -2.0788 H 1 UNL111111111 0.2837 27 H -0.9164 0.9542 -1.8772 H 1 UNL111111111 0.2650 28 H 2.0587 1.7296 0.2669 H 1 UNL111111111 0.2749 29 H 1.6660 0.6353 1.5998 H 1 UNL111111111 0.2795 30 H 2.4909 -0.3124 -1.2216 H 1 UNL111111111 0.1197 31 H 2.2138 -1.3531 0.1800 H 1 UNL111111111 0.1458 32 H 4.3549 0.8713 0.0192 H 1 UNL111111111 0.1360 33 H 4.0711 -0.1512 1.4318 H 1 UNL111111111 0.1643 34 H 4.8910 -1.1885 -1.3638 H 1 UNL111111111 0.2285 35 H 4.6129 -2.2100 0.0514 H 1 UNL111111111 0.2514 36 H 5.9553 -1.0617 0.0401 H 1 UNL111111111 0.2437 @BOND 1 26 9 1 2 27 9 1 3 25 9 1 4 9 5 1 5 34 13 1 6 30 11 1 7 15 1 1 8 20 3 1 9 18 2 1 10 22 4 1 11 13 36 1 12 13 35 1 13 13 12 1 14 8 7 3 15 11 31 1 16 11 12 1 17 11 10 1 18 1 16 1 19 1 2 1 20 1 14 1 21 5 4 1 22 5 10 1 23 5 6 1 24 32 12 1 25 3 2 1 26 3 4 1 27 3 19 1 28 2 17 1 29 7 6 1 30 28 10 1 31 4 21 1 32 12 33 1 33 10 29 1 34 6 24 1 35 6 23 1