@MOLECULE N-tert-butyl-2,2-dimethyl-pentanamide 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7051 0.9985 -0.0007 C.3 1 UNL11111111 -0.4394 2 C 3.6612 -0.1200 -0.0040 C.3 1 UNL11111111 -0.2456 3 C 2.2488 0.4736 -0.0002 C.3 1 UNL11111111 -0.2777 4 C 1.1212 -0.5798 0.0011 C.3 1 UNL11111111 0.0123 5 C 1.1783 -1.4458 -1.2606 C.3 1 UNL11111111 -0.4560 6 C 1.1783 -1.4421 1.2654 C.3 1 UNL11111111 -0.4561 7 C -0.2074 0.2067 0.0012 C.2 1 UNL11111111 0.5695 8 O -0.2320 1.4216 0.0026 O.2 1 UNL11111111 -0.5578 9 N -1.3703 -0.5346 0.0000 N.am 1 UNL11111111 -0.6433 10 C -2.7122 0.0941 -0.0011 C.3 1 UNL11111111 0.3400 11 C -2.8825 0.9551 -1.2637 C.3 1 UNL11111111 -0.4906 12 C -3.7545 -1.0446 -0.0014 C.3 1 UNL11111111 -0.4973 13 C -2.8847 0.9549 1.2612 C.3 1 UNL11111111 -0.4906 14 H 4.6071 1.6344 0.8866 H 1 UNL11111111 0.1448 15 H 5.7221 0.5934 -0.0067 H 1 UNL11111111 0.1366 16 H 4.6008 1.6446 -0.8800 H 1 UNL11111111 0.1449 17 H 3.8070 -0.7643 -0.8907 H 1 UNL11111111 0.1310 18 H 3.8086 -0.7720 0.8768 H 1 UNL11111111 0.1310 19 H 2.1237 1.1395 0.8787 H 1 UNL11111111 0.1573 20 H 2.1198 1.1416 -0.8769 H 1 UNL11111111 0.1573 21 H 2.1274 -1.9922 -1.3221 H 1 UNL11111111 0.1559 22 H 0.3780 -2.1909 -1.2940 H 1 UNL11111111 0.1401 23 H 1.0973 -0.8311 -2.1665 H 1 UNL11111111 0.1568 24 H 1.0934 -0.8252 2.1693 H 1 UNL11111111 0.1568 25 H 0.3804 -2.1897 1.2991 H 1 UNL11111111 0.1402 26 H 2.1291 -1.9851 1.3304 H 1 UNL11111111 0.1559 27 H -1.3389 -1.5392 -0.0008 H 1 UNL11111111 0.3064 28 H -2.7215 0.3723 -2.1749 H 1 UNL11111111 0.1481 29 H -3.8799 1.3989 -1.3105 H 1 UNL11111111 0.1478 30 H -2.1525 1.7803 -1.2726 H 1 UNL11111111 0.1829 31 H -3.6633 -1.6778 0.8869 H 1 UNL11111111 0.1499 32 H -4.7699 -0.6323 -0.0019 H 1 UNL11111111 0.1600 33 H -3.6620 -1.6797 -0.8882 H 1 UNL11111111 0.1499 34 H -2.1517 1.7776 1.2738 H 1 UNL11111111 0.1830 35 H -3.8810 1.4020 1.3034 H 1 UNL11111111 0.1478 36 H -2.7299 0.3714 2.1731 H 1 UNL11111111 0.1480 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 am 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 5 21 1 21 5 22 1 22 5 23 1 23 6 24 1 24 6 25 1 25 6 26 1 26 9 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1