@MOLECULE 1-methyl-1-[6-(methylammonio)hexyl]-3-oxo-2-triazanolate 34 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.9673 0.8757 1.2134 O.3 1 UNL1 -0.5281 2 O 0.2131 1.4280 -0.6224 O.3 1 UNL1 -0.6356 3 N -2.2256 1.2826 -0.4214 N.4 1 UNL1 -0.2829 4 N 2.1847 -0.3176 -0.5694 N.3 1 UNL1 -0.3727 5 N 2.0588 0.7684 0.3649 N.4 1 UNL1 0.4457 6 N 1.0911 1.6062 0.3167 N.4 1 UNL1 -0.0475 7 C -2.2405 -2.0281 0.6599 C.3 1 UNL1 -0.2631 8 C -0.8178 -2.5107 0.3192 C.3 1 UNL1 -0.2699 9 C -2.8678 -1.1759 -0.4619 C.3 1 UNL1 -0.2933 10 C 0.0546 -1.2899 0.0525 C.3 1 UNL1 -0.2979 11 C -3.2364 0.2424 -0.0030 C.3 1 UNL1 -0.1577 12 C 1.5637 -1.5679 -0.0220 C.3 1 UNL1 -0.1097 13 C -2.5770 2.6085 0.1879 C.3 1 UNL1 -0.3257 14 C 3.5915 -0.5210 -0.9786 C.3 1 UNL1 -0.2705 15 H -2.8840 -2.9017 0.8690 H 1 UNL1 0.1349 16 H -2.2099 -1.4588 1.6086 H 1 UNL1 0.1420 17 H -0.8317 -3.1887 -0.5524 H 1 UNL1 0.1387 18 H -0.4082 -3.1050 1.1566 H 1 UNL1 0.1430 19 H -2.1917 -1.1374 -1.3417 H 1 UNL1 0.1679 20 H -3.7720 -1.6948 -0.8387 H 1 UNL1 0.1465 21 H -0.2456 -0.8082 -0.9052 H 1 UNL1 0.1668 22 H -0.1338 -0.5340 0.8445 H 1 UNL1 0.1513 23 H -4.2337 0.5288 -0.4102 H 1 UNL1 0.1389 24 H -3.3402 0.2751 1.1066 H 1 UNL1 0.1635 25 H 1.9754 -1.8550 0.9646 H 1 UNL1 0.1345 26 H 1.7742 -2.3929 -0.7284 H 1 UNL1 0.1413 27 H -1.0861 1.1191 -0.2018 H 1 UNL1 0.3936 28 H -2.2307 1.3615 -1.4568 H 1 UNL1 0.2766 29 H -3.4785 3.0550 -0.2417 H 1 UNL1 0.1462 30 H -2.7103 2.5033 1.2874 H 1 UNL1 0.1703 31 H -1.7176 3.3013 0.0427 H 1 UNL1 0.2044 32 H 3.9871 0.4480 -1.3363 H 1 UNL1 0.1620 33 H 3.5955 -1.2177 -1.8303 H 1 UNL1 0.1432 34 H 4.2650 -0.8841 -0.1895 H 1 UNL1 0.1434 @BOND 1 33 14 1 2 28 3 1 3 19 9 1 4 32 14 1 5 14 4 1 6 14 34 1 7 21 10 1 8 20 9 1 9 26 12 1 10 2 6 1 11 4 12 1 12 4 5 1 13 17 8 1 14 9 11 1 15 9 7 1 16 3 27 1 17 3 11 1 18 3 13 1 19 23 11 1 20 29 13 1 21 12 10 1 22 12 25 1 23 11 24 1 24 31 13 1 25 10 8 1 26 10 22 1 27 13 30 1 28 6 5 1 29 8 7 1 30 8 18 1 31 5 1 1 32 7 15 1 33 7 16 1