@MOLECULE 2-[3-(5-isopropyl-6-oxo-1,6-dihydro-2-pyrazinyl)propyl]guanidine 36 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.6380 2.2703 -0.4726 O.2 1 UNL1 -0.4979 2 N -0.8927 0.9625 0.0566 N.ar 1 UNL1 -0.4835 3 N -2.6132 -1.1952 0.3977 N.ar 1 UNL1 -0.2791 4 N 3.9054 0.2041 -0.1059 N.pl3 1 UNL1 -0.5702 5 N 5.8074 1.4654 0.3968 N.pl3 1 UNL1 -0.6155 6 N 6.1048 -0.8421 -0.0550 N.pl3 1 UNL1 -0.6812 7 C -4.5995 0.1396 -0.1391 C.3 1 UNL1 -0.0562 8 C 1.0928 -0.3868 0.5790 C.3 1 UNL1 -0.2985 9 C -0.3852 -0.2735 0.4131 C.ar 1 UNL1 0.1761 10 C 1.7425 -0.7043 -0.7749 C.3 1 UNL1 -0.2463 11 C -3.1152 -0.0398 0.0583 C.ar 1 UNL1 0.0321 12 C -2.2754 1.1600 -0.1500 C.ar 1 UNL1 0.5006 13 C 3.2463 -0.9956 -0.6061 C.3 1 UNL1 -0.0813 14 C -5.0872 -0.7571 -1.2815 C.3 1 UNL1 -0.4421 15 C -5.3313 -0.1805 1.1679 C.3 1 UNL1 -0.4423 16 C -1.2557 -1.3267 0.5791 C.ar 1 UNL1 -0.1754 17 C 5.1922 0.2394 0.0482 C.cat 1 UNL1 0.5105 18 H -4.8038 1.2100 -0.4123 H 1 UNL1 0.1645 19 H 1.5499 0.5380 0.9977 H 1 UNL1 0.1828 20 H 1.3432 -1.1738 1.3203 H 1 UNL1 0.1667 21 H 1.6056 0.1477 -1.4693 H 1 UNL1 0.1569 22 H 1.2490 -1.5775 -1.2456 H 1 UNL1 0.1435 23 H -0.2582 1.7494 -0.0796 H 1 UNL1 0.3300 24 H 3.6582 -1.3074 -1.5934 H 1 UNL1 0.1215 25 H 3.3918 -1.8495 0.0959 H 1 UNL1 0.1301 26 H -4.8912 -1.8148 -1.0624 H 1 UNL1 0.1592 27 H -4.5795 -0.5169 -2.2220 H 1 UNL1 0.1449 28 H -6.1639 -0.6414 -1.4416 H 1 UNL1 0.1454 29 H -4.9969 0.4751 1.9831 H 1 UNL1 0.1454 30 H -5.1459 -1.2178 1.4798 H 1 UNL1 0.1600 31 H -6.4128 -0.0503 1.0599 H 1 UNL1 0.1449 32 H -0.9262 -2.3255 0.8610 H 1 UNL1 0.1871 33 H 5.1534 2.1841 0.6814 H 1 UNL1 0.3006 34 H 6.5868 1.3953 1.0335 H 1 UNL1 0.2838 35 H 7.0570 -0.6212 -0.2847 H 1 UNL1 0.2936 36 H 5.7759 -1.6636 -0.5284 H 1 UNL1 0.2894 @BOND 1 27 14 1 2 24 13 1 3 21 10 1 4 28 14 1 5 14 26 1 6 14 7 1 7 22 10 1 8 10 13 1 9 10 8 1 10 13 4 1 11 13 25 1 12 36 6 1 13 1 12 2 14 18 7 1 15 35 6 1 16 12 2 ar 17 12 11 ar 18 7 11 1 19 7 15 1 20 4 17 2 21 23 2 1 22 6 17 1 23 17 5 1 24 2 9 ar 25 11 3 ar 26 5 33 1 27 5 34 1 28 3 16 ar 29 9 8 1 30 9 16 ar 31 8 19 1 32 8 20 1 33 16 32 1 34 31 15 1 35 15 30 1 36 15 29 1