@MOLECULE 4-methyl-N-pentyl-pentanamide 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.5220 0.3213 -0.3124 C.3 1 UNL11111111 -0.0591 2 C -5.6927 -0.6669 -0.2254 C.3 1 UNL11111111 -0.4553 3 C -4.7666 1.4995 0.6382 C.3 1 UNL11111111 -0.4534 4 C -3.2129 -0.4089 0.0336 C.3 1 UNL11111111 -0.2651 5 C -1.9799 0.4255 -0.3287 C.3 1 UNL11111111 -0.3645 6 C -0.7283 -0.3696 -0.0306 C.2 1 UNL11111111 0.5865 7 O -0.7229 -1.5371 0.3027 O.2 1 UNL11111111 -0.5379 8 N 0.4642 0.3152 -0.1692 N.am 1 UNL11111111 -0.6277 9 C 1.7238 -0.3974 0.0966 C.3 1 UNL11111111 -0.0540 10 C 2.9247 0.5142 -0.1930 C.3 1 UNL11111111 -0.3071 11 C 4.2275 -0.2308 0.1194 C.3 1 UNL11111111 -0.2650 12 C 5.4439 0.6617 -0.1604 C.3 1 UNL11111111 -0.2492 13 C 6.7442 -0.0802 0.1488 C.3 1 UNL11111111 -0.4393 14 H -4.4583 0.7078 -1.3578 H 1 UNL11111111 0.1265 15 H -6.6417 -0.1821 -0.4758 H 1 UNL11111111 0.1403 16 H -5.5595 -1.5066 -0.9163 H 1 UNL11111111 0.1445 17 H -5.7915 -1.0831 0.7832 H 1 UNL11111111 0.1474 18 H -4.7980 1.1702 1.6828 H 1 UNL11111111 0.1470 19 H -3.9816 2.2571 0.5535 H 1 UNL11111111 0.1373 20 H -5.7210 1.9909 0.4210 H 1 UNL11111111 0.1403 21 H -3.1896 -0.6730 1.1087 H 1 UNL11111111 0.1539 22 H -3.1663 -1.3830 -0.4967 H 1 UNL11111111 0.1588 23 H -2.0044 0.6982 -1.4028 H 1 UNL11111111 0.1632 24 H -1.9827 1.3784 0.2356 H 1 UNL11111111 0.1609 25 H 0.5131 1.2783 -0.4341 H 1 UNL11111111 0.3068 26 H 1.7316 -0.7447 1.1563 H 1 UNL11111111 0.1474 27 H 1.7615 -1.3194 -0.5308 H 1 UNL11111111 0.1511 28 H 2.9161 0.8369 -1.2513 H 1 UNL11111111 0.1440 29 H 2.8628 1.4378 0.4129 H 1 UNL11111111 0.1425 30 H 4.2365 -0.5581 1.1768 H 1 UNL11111111 0.1418 31 H 4.2925 -1.1561 -0.4842 H 1 UNL11111111 0.1422 32 H 5.4392 0.9906 -1.2167 H 1 UNL11111111 0.1338 33 H 5.3840 1.5863 0.4443 H 1 UNL11111111 0.1335 34 H 7.6181 0.5508 -0.0472 H 1 UNL11111111 0.1401 35 H 6.7908 -0.3888 1.1992 H 1 UNL11111111 0.1438 36 H 6.8467 -0.9827 -0.4645 H 1 UNL11111111 0.1440 @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 10 11 1 11 11 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 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 13 34 1 34 13 35 1 35 13 36 1