@MOLECULE n-(2,2-dimethylbutyl)-4-methyl-1-pentanamine 40 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.5092 0.1097 -0.3272 C.3 1 UNL1111111 -0.0560 2 C -5.7532 -0.7507 -0.0672 C.3 1 UNL1111111 -0.4577 3 C -4.6956 1.4941 0.3049 C.3 1 UNL1111111 -0.4535 4 C -3.2639 -0.5973 0.2432 C.3 1 UNL1111111 -0.2885 5 C -1.9695 0.0405 -0.2701 C.3 1 UNL1111111 -0.2859 6 C -0.7462 -0.7095 0.2870 C.3 1 UNL1111111 -0.1106 7 N 0.4769 0.0438 -0.0789 N.3 1 UNL1111111 -0.5464 8 C 1.6971 -0.6589 0.3781 C.3 1 UNL1111111 -0.1450 9 C 2.9879 0.0918 -0.0710 C.3 1 UNL1111111 0.0984 10 C 3.0680 0.1281 -1.6035 C.3 1 UNL1111111 -0.4661 11 C 2.9739 1.5168 0.4918 C.3 1 UNL1111111 -0.4555 12 C 4.1805 -0.7127 0.5064 C.3 1 UNL1111111 -0.2821 13 C 5.5437 -0.0767 0.2361 C.3 1 UNL1111111 -0.4302 14 H -4.3820 0.2309 -1.4299 H 1 UNL1111111 0.1288 15 H -6.6578 -0.2642 -0.4470 H 1 UNL1111111 0.1423 16 H -5.6744 -1.7261 -0.5580 H 1 UNL1111111 0.1408 17 H -5.9007 -0.9279 1.0033 H 1 UNL1111111 0.1442 18 H -3.8272 2.1367 0.1227 H 1 UNL1111111 0.1455 19 H -5.5741 2.0023 -0.1056 H 1 UNL1111111 0.1401 20 H -4.8304 1.4247 1.3895 H 1 UNL1111111 0.1441 21 H -3.2906 -0.5689 1.3483 H 1 UNL1111111 0.1404 22 H -3.2876 -1.6687 -0.0326 H 1 UNL1111111 0.1352 23 H -1.9508 0.0410 -1.3745 H 1 UNL1111111 0.1344 24 H -1.9146 1.1049 0.0350 H 1 UNL1111111 0.1570 25 H -0.7994 -0.7506 1.3975 H 1 UNL1111111 0.1406 26 H -0.7371 -1.7577 -0.0786 H 1 UNL1111111 0.1080 27 H 0.5109 0.2117 -1.0827 H 1 UNL1111111 0.2522 28 H 1.6654 -0.6896 1.4897 H 1 UNL1111111 0.1413 29 H 1.7395 -1.7102 0.0232 H 1 UNL1111111 0.1087 30 H 2.2855 0.7630 -2.0328 H 1 UNL1111111 0.1443 31 H 4.0260 0.5416 -1.9388 H 1 UNL1111111 0.1500 32 H 2.9721 -0.8717 -2.0370 H 1 UNL1111111 0.1407 33 H 3.0689 1.5177 1.5824 H 1 UNL1111111 0.1431 34 H 3.7842 2.1237 0.0791 H 1 UNL1111111 0.1396 35 H 2.0259 2.0215 0.2568 H 1 UNL1111111 0.1653 36 H 4.0458 -0.8270 1.5996 H 1 UNL1111111 0.1353 37 H 4.1657 -1.7372 0.0883 H 1 UNL1111111 0.1331 38 H 6.3490 -0.6827 0.6663 H 1 UNL1111111 0.1374 39 H 5.7423 0.0178 -0.8370 H 1 UNL1111111 0.1419 40 H 5.6150 0.9248 0.6753 H 1 UNL1111111 0.1451 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 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 6 25 1 25 6 26 1 26 7 27 1 27 8 28 1 28 8 29 1 29 10 30 1 30 10 31 1 31 10 32 1 32 11 33 1 33 11 34 1 34 11 35 1 35 12 36 1 36 12 37 1 37 13 38 1 38 13 39 1 39 13 40 1