@MOLECULE 2-methyl-n-pentylpentanamide 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.1266 0.5624 -0.3040 C.3 1 UNL11111111 -0.1279 2 H 2.0776 0.5426 -1.4173 H 1 UNL11111111 0.1833 3 C 2.2638 2.0085 0.1739 C.3 1 UNL11111111 -0.8336 4 C 3.2969 -0.3175 0.1650 C.3 1 UNL11111111 -0.5466 5 C 4.5806 -0.0172 -0.6169 C.3 1 UNL11111111 0.0106 6 C 5.7248 -0.9051 -0.1274 C.3 1 UNL11111111 -0.8464 7 C 0.8542 -0.0023 0.3205 C.2 1 UNL11111111 0.3743 8 O 0.7112 -0.1461 1.5169 O.2 1 UNL11111111 -0.3068 9 N -0.1396 -0.3767 -0.5636 N.am 1 UNL11111111 -0.6589 10 C -1.4280 -0.8751 -0.0711 C.3 1 UNL11111111 -0.2732 11 C -2.5647 0.0938 -0.4464 C.3 1 UNL11111111 -0.3004 12 C -3.9069 -0.4564 0.0464 C.3 1 UNL11111111 -0.4288 13 C -5.0539 0.4848 -0.3458 C.3 1 UNL11111111 -0.1203 14 C -6.3952 -0.0526 0.1530 C.3 1 UNL11111111 -0.7549 15 H 2.2692 2.0618 1.2733 H 1 UNL11111111 0.2825 16 H 3.1969 2.4599 -0.1805 H 1 UNL11111111 0.2432 17 H 1.4358 2.6331 -0.1786 H 1 UNL11111111 0.2384 18 H 3.4611 -0.1718 1.2521 H 1 UNL11111111 0.2474 19 H 3.0328 -1.3875 0.0528 H 1 UNL11111111 0.2248 20 H 4.4153 -0.1753 -1.6990 H 1 UNL11111111 0.0920 21 H 4.8573 1.0480 -0.5031 H 1 UNL11111111 0.1075 22 H 6.6487 -0.7033 -0.6795 H 1 UNL11111111 0.2149 23 H 5.9333 -0.7384 0.9358 H 1 UNL11111111 0.2589 24 H 5.4912 -1.9683 -0.2539 H 1 UNL11111111 0.2572 25 H -0.0644 -0.2147 -1.5508 H 1 UNL11111111 0.3972 26 H -1.6128 -1.8844 -0.5020 H 1 UNL11111111 0.1970 27 H -1.3808 -1.0032 1.0379 H 1 UNL11111111 0.2276 28 H -2.3712 1.0880 0.0008 H 1 UNL11111111 0.1765 29 H -2.5929 0.2510 -1.5394 H 1 UNL11111111 0.1498 30 H -4.0868 -1.4633 -0.3741 H 1 UNL11111111 0.2009 31 H -3.8850 -0.5854 1.1457 H 1 UNL11111111 0.2162 32 H -4.8740 1.4944 0.0702 H 1 UNL11111111 0.1187 33 H -5.0827 0.6105 -1.4444 H 1 UNL11111111 0.1124 34 H -6.6120 -1.0419 -0.2647 H 1 UNL11111111 0.2264 35 H -6.4077 -0.1460 1.2449 H 1 UNL11111111 0.2358 36 H -7.2195 0.6114 -0.1294 H 1 UNL11111111 0.2040 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 am 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 6 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 14 34 1 34 14 35 1 35 14 36 1