@MOLECULE 2-[3-(5-isobutyl-6-oxo-1,6-dihydro-2-pyrazinyl)propyl]guanidine 39 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.3092 2.2727 -0.3307 O.2 1 UNL1 -0.4938 2 N -0.5235 1.0305 0.2302 N.ar 1 UNL1 -0.4849 3 N -2.2113 -0.9721 1.1666 N.ar 1 UNL1 -0.2853 4 N 4.2248 0.1652 -0.2704 N.pl3 1 UNL1 -0.5716 5 N 6.1757 1.4463 -0.1411 N.pl3 1 UNL1 -0.6170 6 N 6.4165 -0.9036 -0.2947 N.pl3 1 UNL1 -0.6797 7 C -4.7712 -0.1644 -0.7933 C.3 1 UNL1 -0.0431 8 C -4.2209 0.2679 0.5843 C.3 1 UNL1 -0.2851 9 C -2.7370 0.1086 0.6581 C.ar 1 UNL1 0.0528 10 C 1.4948 -0.2587 0.7760 C.3 1 UNL1 -0.3008 11 C 0.0096 -0.1324 0.7567 C.ar 1 UNL1 0.1753 12 C 1.9969 -0.7714 -0.5808 C.3 1 UNL1 -0.2456 13 C -4.5449 -1.6557 -1.0383 C.3 1 UNL1 -0.4555 14 C -6.2739 0.1550 -0.8528 C.3 1 UNL1 -0.4526 15 C -1.9195 1.2275 0.1405 C.ar 1 UNL1 0.5024 16 C -0.8429 -1.1085 1.2192 C.ar 1 UNL1 -0.1739 17 C 3.5061 -1.0760 -0.5269 C.3 1 UNL1 -0.0813 18 C 5.5221 0.1957 -0.2533 C.cat 1 UNL1 0.5103 19 H -4.2447 0.4249 -1.5832 H 1 UNL1 0.1392 20 H -4.4928 1.3301 0.7703 H 1 UNL1 0.1672 21 H -4.7104 -0.3252 1.3852 H 1 UNL1 0.1676 22 H 2.0039 0.7008 1.0178 H 1 UNL1 0.1833 23 H 1.8142 -0.9462 1.5867 H 1 UNL1 0.1664 24 H 1.7992 -0.0138 -1.3656 H 1 UNL1 0.1565 25 H 1.4492 -1.6879 -0.8790 H 1 UNL1 0.1435 26 H -4.9935 -1.9803 -1.9779 H 1 UNL1 0.1392 27 H -4.9740 -2.2642 -0.2328 H 1 UNL1 0.1498 28 H -3.4751 -1.8981 -1.0789 H 1 UNL1 0.1487 29 H -6.4649 1.2234 -0.7021 H 1 UNL1 0.1453 30 H -6.6971 -0.1228 -1.8239 H 1 UNL1 0.1423 31 H -6.8310 -0.3977 -0.0855 H 1 UNL1 0.1430 32 H 0.0993 1.7583 -0.1168 H 1 UNL1 0.3291 33 H -0.4910 -2.0446 1.6560 H 1 UNL1 0.1876 34 H 3.8083 -1.5306 -1.4982 H 1 UNL1 0.1214 35 H 3.7174 -1.8280 0.2692 H 1 UNL1 0.1303 36 H 5.5549 2.2137 0.0902 H 1 UNL1 0.3016 37 H 7.0080 1.4489 0.4226 H 1 UNL1 0.2839 38 H 7.3437 -0.7287 -0.6481 H 1 UNL1 0.2940 39 H 6.0414 -1.7755 -0.6200 H 1 UNL1 0.2890 @BOND 1 26 13 1 2 30 14 1 3 19 7 1 4 34 17 1 5 24 12 1 6 28 13 1 7 13 7 1 8 13 27 1 9 25 12 1 10 14 7 1 11 14 29 1 12 14 31 1 13 7 8 1 14 38 6 1 15 39 6 1 16 12 17 1 17 12 10 1 18 17 4 1 19 17 35 1 20 1 15 2 21 6 18 1 22 4 18 2 23 18 5 1 24 5 36 1 25 5 37 1 26 32 2 1 27 15 2 ar 28 15 9 ar 29 2 11 ar 30 8 9 1 31 8 20 1 32 8 21 1 33 9 3 ar 34 11 10 1 35 11 16 ar 36 10 22 1 37 10 23 1 38 3 16 ar 39 16 33 1