@MOLECULE n-butyl-2-methylpentanamide 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.5830 0.5584 -0.2978 C.3 1 UNL111111111 -0.1734 2 H 1.5243 0.5567 -1.4109 H 1 UNL111111111 0.1425 3 C 1.7011 1.9985 0.2027 C.3 1 UNL111111111 -0.4383 4 C 2.7708 -0.3112 0.1453 C.3 1 UNL111111111 -0.2702 5 C 4.0420 0.0208 -0.6444 C.3 1 UNL111111111 -0.2462 6 C 5.2101 -0.8428 -0.1678 C.3 1 UNL111111111 -0.4392 7 C 0.3240 -0.0339 0.3276 C.2 1 UNL111111111 0.5743 8 O 0.1944 -0.2056 1.5221 O.2 1 UNL111111111 -0.5370 9 N -0.6756 -0.3995 -0.5544 N.am 1 UNL111111111 -0.6179 10 C -1.9589 -0.9068 -0.0580 C.3 1 UNL111111111 -0.0671 11 C -3.0956 0.0729 -0.4025 C.3 1 UNL111111111 -0.3050 12 C -4.4326 -0.4650 0.1184 C.3 1 UNL111111111 -0.2464 13 C -5.5778 0.4743 -0.2593 C.3 1 UNL111111111 -0.4380 14 H 1.7082 2.0343 1.3026 H 1 UNL111111111 0.1678 15 H 2.6268 2.4693 -0.1462 H 1 UNL111111111 0.1496 16 H 0.8627 2.6161 -0.1378 H 1 UNL111111111 0.1449 17 H 2.9441 -0.1798 1.2326 H 1 UNL111111111 0.1612 18 H 2.5209 -1.3830 0.0192 H 1 UNL111111111 0.1441 19 H 3.8720 -0.1364 -1.7260 H 1 UNL111111111 0.1306 20 H 4.2953 1.0917 -0.5283 H 1 UNL111111111 0.1353 21 H 5.4238 -0.6757 0.8943 H 1 UNL111111111 0.1457 22 H 4.9994 -1.9104 -0.2967 H 1 UNL111111111 0.1440 23 H 6.1247 -0.6180 -0.7267 H 1 UNL111111111 0.1385 24 H -0.6114 -0.2180 -1.5386 H 1 UNL111111111 0.3042 25 H -2.1503 -1.9060 -0.5090 H 1 UNL111111111 0.1329 26 H -1.8999 -1.0578 1.0478 H 1 UNL111111111 0.1734 27 H -2.8844 1.0639 0.0434 H 1 UNL111111111 0.1511 28 H -3.1480 0.2360 -1.4937 H 1 UNL111111111 0.1366 29 H -4.6239 -1.4761 -0.2885 H 1 UNL111111111 0.1337 30 H -4.3900 -0.5837 1.2189 H 1 UNL111111111 0.1407 31 H -5.4344 1.4733 0.1683 H 1 UNL111111111 0.1449 32 H -5.6625 0.5895 -1.3454 H 1 UNL111111111 0.1409 33 H -6.5390 0.0959 0.1066 H 1 UNL111111111 0.1419 @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 3 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 6 22 1 22 6 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 13 31 1 31 13 32 1 32 13 33 1