@MOLECULE N-isobutyl-2,2-dimethyl-pentanamide 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0527 0.7356 -0.2546 C.3 1 UNL11111111 -0.4391 2 C 3.9110 -0.2495 0.0037 C.3 1 UNL11111111 -0.2456 3 C 2.5611 0.4699 -0.0820 C.3 1 UNL11111111 -0.2806 4 C 1.3422 -0.4478 0.1482 C.3 1 UNL11111111 0.0189 5 C 1.2811 -1.5640 -0.8996 C.3 1 UNL11111111 -0.4558 6 C 1.3592 -1.0312 1.5640 C.3 1 UNL11111111 -0.4566 7 C 0.0957 0.4380 -0.0335 C.2 1 UNL11111111 0.5551 8 O 0.1533 1.5808 -0.4452 O.2 1 UNL11111111 -0.5517 9 N -1.1286 -0.1105 0.2811 N.am 1 UNL11111111 -0.6114 10 C -2.3397 0.6986 0.0802 C.3 1 UNL11111111 -0.0738 11 C -3.6124 -0.1539 0.2668 C.3 1 UNL11111111 -0.0899 12 C -4.8250 0.7813 0.3218 C.3 1 UNL11111111 -0.4517 13 C -3.7707 -1.1585 -0.8780 C.3 1 UNL11111111 -0.4516 14 H 5.0521 1.5497 0.4792 H 1 UNL11111111 0.1446 15 H 6.0269 0.2395 -0.1975 H 1 UNL11111111 0.1366 16 H 4.9706 1.1906 -1.2485 H 1 UNL11111111 0.1455 17 H 3.9554 -1.0737 -0.7322 H 1 UNL11111111 0.1321 18 H 4.0376 -0.7166 0.9981 H 1 UNL11111111 0.1306 19 H 2.5309 1.3038 0.6484 H 1 UNL11111111 0.1539 20 H 2.4619 0.9637 -1.0719 H 1 UNL11111111 0.1618 21 H 2.1445 -2.2347 -0.8147 H 1 UNL11111111 0.1547 22 H 0.3823 -2.1799 -0.7977 H 1 UNL11111111 0.1418 23 H 1.2867 -1.1523 -1.9173 H 1 UNL11111111 0.1583 24 H 1.3126 -0.2381 2.3209 H 1 UNL11111111 0.1561 25 H 0.5267 -1.7169 1.7461 H 1 UNL11111111 0.1397 26 H 2.2812 -1.5982 1.7445 H 1 UNL11111111 0.1557 27 H -1.2368 -1.0483 0.6125 H 1 UNL11111111 0.3072 28 H -2.3272 1.5495 0.8007 H 1 UNL11111111 0.1456 29 H -2.3135 1.1569 -0.9362 H 1 UNL11111111 0.1565 30 H -3.5430 -0.7086 1.2340 H 1 UNL11111111 0.1326 31 H -4.9188 1.3755 -0.5948 H 1 UNL11111111 0.1504 32 H -5.7558 0.2151 0.4397 H 1 UNL11111111 0.1468 33 H -4.7580 1.4798 1.1635 H 1 UNL11111111 0.1463 34 H -3.8866 -0.6510 -1.8433 H 1 UNL11111111 0.1515 35 H -2.9011 -1.8182 -0.9639 H 1 UNL11111111 0.1416 36 H -4.6528 -1.7916 -0.7329 H 1 UNL11111111 0.1441 @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 11 12 1 12 11 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 10 28 1 28 10 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