@MOLECULE N-(1,1-dimethylpropyl)-4-methyl-pentanamide 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8960 0.2812 -0.3613 C.3 1 UNL11111111 -0.0594 2 C -5.0254 -0.7523 -0.2540 C.3 1 UNL11111111 -0.4556 3 C -4.1918 1.4677 0.5644 C.3 1 UNL11111111 -0.4536 4 C -2.5584 -0.3871 0.0008 C.3 1 UNL11111111 -0.2636 5 C -1.3610 0.4953 -0.3643 C.3 1 UNL11111111 -0.3685 6 C -0.0731 -0.2288 -0.0193 C.2 1 UNL11111111 0.6018 7 O -0.0445 -1.3554 0.4303 O.2 1 UNL11111111 -0.5441 8 N 1.0800 0.4961 -0.2592 N.am 1 UNL11111111 -0.6630 9 C 2.4391 -0.0406 0.0167 C.3 1 UNL11111111 0.3240 10 C 2.5591 -0.3638 1.5140 C.3 1 UNL11111111 -0.4890 11 C 2.6661 -1.3036 -0.8284 C.3 1 UNL11111111 -0.4892 12 C 3.4397 1.0807 -0.3890 C.3 1 UNL11111111 -0.3074 13 C 4.8970 0.6943 -0.1516 C.3 1 UNL11111111 -0.4267 14 H -3.8465 0.6477 -1.4145 H 1 UNL11111111 0.1259 15 H -5.9933 -0.3119 -0.5136 H 1 UNL11111111 0.1401 16 H -4.8581 -1.5997 -0.9276 H 1 UNL11111111 0.1440 17 H -5.1070 -1.1503 0.7636 H 1 UNL11111111 0.1474 18 H -5.1717 1.9052 0.3458 H 1 UNL11111111 0.1402 19 H -4.1973 1.1610 1.6163 H 1 UNL11111111 0.1472 20 H -3.4472 2.2619 0.4555 H 1 UNL11111111 0.1373 21 H -2.5294 -0.6374 1.0794 H 1 UNL11111111 0.1555 22 H -2.4669 -1.3639 -0.5172 H 1 UNL11111111 0.1562 23 H -1.3815 0.7405 -1.4441 H 1 UNL11111111 0.1610 24 H -1.4164 1.4585 0.1795 H 1 UNL11111111 0.1617 25 H 1.0258 1.4272 -0.6338 H 1 UNL11111111 0.3036 26 H 1.8066 -1.1114 1.8116 H 1 UNL11111111 0.1820 27 H 3.5402 -0.7815 1.7554 H 1 UNL11111111 0.1498 28 H 2.4011 0.5238 2.1329 H 1 UNL11111111 0.1477 29 H 2.5818 -1.0958 -1.8986 H 1 UNL11111111 0.1476 30 H 3.6510 -1.7388 -0.6391 H 1 UNL11111111 0.1498 31 H 1.9194 -2.0756 -0.5841 H 1 UNL11111111 0.1819 32 H 3.2970 1.3281 -1.4587 H 1 UNL11111111 0.1398 33 H 3.2090 2.0027 0.1789 H 1 UNL11111111 0.1396 34 H 5.5707 1.5039 -0.4565 H 1 UNL11111111 0.1410 35 H 5.0966 0.4866 0.9063 H 1 UNL11111111 0.1476 36 H 5.1795 -0.1965 -0.7247 H 1 UNL11111111 0.1475 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 am 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 8 25 1 25 10 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1