@MOLECULE n-pentylbutanamide 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.4393 0.5850 -0.0010 C.3 1 UNL111111111 -0.4417 2 C 4.1673 -0.2586 -0.0002 C.3 1 UNL111111111 -0.2255 3 C 2.9177 0.6310 -0.0002 C.3 1 UNL111111111 -0.3653 4 C 1.6794 -0.2366 0.0004 C.2 1 UNL111111111 0.5850 5 O 1.6982 -1.4508 -0.0024 O.2 1 UNL111111111 -0.5386 6 N 0.4709 0.4338 0.0042 N.am 1 UNL111111111 -0.6280 7 C -0.7706 -0.3573 0.0040 C.3 1 UNL111111111 -0.0534 8 C -1.9979 0.5648 -0.0029 C.3 1 UNL111111111 -0.3071 9 C -3.2800 -0.2764 -0.0000 C.3 1 UNL111111111 -0.2649 10 C -4.5225 0.6241 -0.0026 C.3 1 UNL111111111 -0.2491 11 C -5.8004 -0.2147 0.0008 C.3 1 UNL111111111 -0.4393 12 H 5.4952 1.2329 0.8807 H 1 UNL111111111 0.1410 13 H 6.3329 -0.0507 0.0039 H 1 UNL111111111 0.1450 14 H 5.4988 1.2247 -0.8882 H 1 UNL111111111 0.1410 15 H 4.1471 -0.9363 -0.8782 H 1 UNL111111111 0.1526 16 H 4.1477 -0.9333 0.8793 H 1 UNL111111111 0.1523 17 H 2.9239 1.2951 0.8863 H 1 UNL111111111 0.1620 18 H 2.9229 1.2943 -0.8870 H 1 UNL111111111 0.1620 19 H 0.3975 1.4309 0.0060 H 1 UNL111111111 0.3071 20 H -0.7730 -1.0301 -0.8859 H 1 UNL111111111 0.1497 21 H -0.7777 -1.0246 0.8979 H 1 UNL111111111 0.1493 22 H -1.9818 1.2338 0.8781 H 1 UNL111111111 0.1432 23 H -1.9800 1.2236 -0.8914 H 1 UNL111111111 0.1434 24 H -3.2994 -0.9467 -0.8805 H 1 UNL111111111 0.1420 25 H -3.2988 -0.9404 0.8855 H 1 UNL111111111 0.1420 26 H -4.5085 1.2937 0.8780 H 1 UNL111111111 0.1336 27 H -4.5090 1.2880 -0.8874 H 1 UNL111111111 0.1337 28 H -5.8600 -0.8600 -0.8831 H 1 UNL111111111 0.1439 29 H -5.8542 -0.8605 0.8844 H 1 UNL111111111 0.1439 30 H -6.6928 0.4208 0.0037 H 1 UNL111111111 0.1401 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 am 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1