@MOLECULE (6s)-n-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide 64 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 1.9803 -3.1196 0.8958 Cl 1 UNL1 -0.0277 2 O 2.7345 2.0840 -1.3232 O.2 1 UNL1 -0.5031 3 O -0.2868 1.8325 0.3517 O.2 1 UNL1 -0.4977 4 N 1.4069 0.2545 -1.0912 N.ar 1 UNL1 -0.3688 5 N 4.6278 1.0183 0.4092 N.pl3 1 UNL1 -0.4884 6 N 3.3256 -0.9367 0.5500 N.ar 1 UNL1 -0.4457 7 N -1.5046 2.5158 -1.4332 N.am 1 UNL1 -0.5902 8 N -6.7667 -0.5499 2.5358 N.2 1 UNL1 -0.7073 9 N -6.5237 -1.6970 0.4537 N.pl3 1 UNL1 -0.6261 10 C -0.1833 -1.5325 -0.9945 C.3 1 UNL1 0.0913 11 C -0.6519 -0.4551 -2.0299 C.3 1 UNL1 -0.3229 12 C 0.2263 0.7909 -1.7759 C.3 1 UNL1 -0.0048 13 C 1.1702 -1.0222 -0.5562 C.ar 1 UNL1 0.0442 14 C -0.1063 -2.9217 -1.6472 C.3 1 UNL1 -0.2637 15 C -1.1159 -1.5455 0.2359 C.3 1 UNL1 -0.2832 16 C 5.7113 0.4693 1.2013 C.3 1 UNL1 0.1051 17 C 2.5426 0.9951 -0.8239 C.ar 1 UNL1 0.5029 18 C 2.1447 -1.5652 0.2255 C.ar 1 UNL1 0.0708 19 C -0.5207 1.7512 -0.8321 C.2 1 UNL1 0.5538 20 C 7.0675 0.3403 0.4296 C.3 1 UNL1 -0.3165 21 C 6.3657 1.5301 2.1450 C.3 1 UNL1 -0.3059 22 C 7.7119 1.3663 1.3952 C.3 1 UNL1 -0.2769 23 C 3.5265 0.2820 0.0747 C.ar 1 UNL1 0.2837 24 C 1.0603 -3.0718 -2.6211 C.3 1 UNL1 -0.4404 25 C -2.5142 -2.0729 -0.0679 C.3 1 UNL1 -0.4340 26 C -2.4523 3.2305 -0.5670 C.3 1 UNL1 -0.0736 27 C -3.4894 2.2593 -0.0576 C.ar 1 UNL1 -0.0291 28 C -3.2488 1.5560 1.1239 C.ar 1 UNL1 -0.1440 29 C -4.6440 2.0148 -0.8004 C.ar 1 UNL1 -0.1758 30 C -4.1580 0.5966 1.5592 C.ar 1 UNL1 -0.1331 31 C -5.5526 1.0507 -0.3712 C.ar 1 UNL1 -0.1127 32 C -5.3056 0.3444 0.8061 C.ar 1 UNL1 -0.0577 33 C -6.2608 -0.7099 1.2359 C.2 1 UNL1 0.4178 34 H -0.5110 -0.8227 -3.0608 H 1 UNL1 0.1637 35 H -1.7278 -0.2455 -1.9194 H 1 UNL1 0.1658 36 H 0.5410 1.3167 -2.7120 H 1 UNL1 0.1821 37 H -1.0615 -3.1277 -2.1706 H 1 UNL1 0.1451 38 H -0.0361 -3.7010 -0.8619 H 1 UNL1 0.1546 39 H -1.1827 -0.5171 0.6522 H 1 UNL1 0.1590 40 H -0.6603 -2.1518 1.0439 H 1 UNL1 0.1559 41 H 5.3980 -0.4643 1.7170 H 1 UNL1 0.1780 42 H 7.0317 0.6547 -0.6153 H 1 UNL1 0.1488 43 H 7.5007 -0.6611 0.4628 H 1 UNL1 0.1476 44 H 6.3833 1.2335 3.1957 H 1 UNL1 0.1468 45 H 5.9273 2.5293 2.0887 H 1 UNL1 0.1512 46 H 8.5232 0.9637 2.0062 H 1 UNL1 0.1378 47 H 8.0761 2.2763 0.9130 H 1 UNL1 0.1387 48 H 2.0289 -3.0163 -2.1081 H 1 UNL1 0.1557 49 H 1.0244 -4.0417 -3.1298 H 1 UNL1 0.1410 50 H 1.0580 -2.2941 -3.3918 H 1 UNL1 0.1421 51 H -2.5130 -3.1474 -0.2797 H 1 UNL1 0.1460 52 H -3.1892 -1.9148 0.7843 H 1 UNL1 0.1526 53 H -2.9783 -1.5689 -0.9226 H 1 UNL1 0.1439 54 H 4.7748 1.9062 -0.0602 H 1 UNL1 0.3332 55 H -1.7841 2.3680 -2.3863 H 1 UNL1 0.3066 56 H -1.8907 3.7004 0.2804 H 1 UNL1 0.1782 57 H -2.9102 4.0665 -1.1405 H 1 UNL1 0.1460 58 H -2.3333 1.7433 1.6932 H 1 UNL1 0.1844 59 H -4.8352 2.5655 -1.7183 H 1 UNL1 0.1518 60 H -3.9648 0.0323 2.4721 H 1 UNL1 0.1664 61 H -6.4438 0.8303 -0.9597 H 1 UNL1 0.1658 62 H -7.5302 -1.1106 2.8464 H 1 UNL1 0.2955 63 H -6.6492 0.3188 3.0124 H 1 UNL1 0.3023 64 H -7.1550 -2.4295 0.7169 H 1 UNL1 0.2733 @BOND 1 50 24 1 2 49 24 1 3 34 11 1 4 36 12 1 5 24 48 1 6 24 14 1 7 55 7 1 8 37 14 1 9 11 35 1 10 11 12 1 11 11 10 1 12 12 4 1 13 12 19 1 14 59 29 1 15 14 10 1 16 14 38 1 17 7 19 am 18 7 26 1 19 2 17 2 20 57 26 1 21 4 17 ar 22 4 13 ar 23 10 13 1 24 10 15 1 25 61 31 1 26 53 25 1 27 19 3 2 28 17 23 ar 29 29 31 ar 30 29 27 ar 31 42 20 1 32 26 27 1 33 26 56 1 34 13 18 ar 35 31 32 ar 36 51 25 1 37 25 15 1 38 25 52 1 39 54 5 1 40 27 28 ar 41 23 5 1 42 23 6 ar 43 18 6 ar 44 18 1 1 45 15 39 1 46 15 40 1 47 5 16 1 48 20 43 1 49 20 16 1 50 20 22 1 51 9 64 1 52 9 33 1 53 32 33 1 54 32 30 ar 55 47 22 1 56 28 30 ar 57 28 58 1 58 16 41 1 59 16 21 1 60 33 8 2 61 22 46 1 62 22 21 1 63 30 60 1 64 45 21 1 65 21 44 1 66 8 62 1 67 8 63 1