@MOLECULE 1-{[(7s,9as)-2-(2-pyrimidinyl)octahydro-2h-pyrido[1,2-a]pyrazin-7-yl]methyl}-2,5-pyrrolidinedione 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.0536 1.7909 0.4889 O.2 1 UNL1111111111 -0.4663 2 O 3.1094 -2.1666 -0.6975 O.2 1 UNL1111111111 -0.4521 3 N -0.1790 -0.2390 -0.0593 N.3 1 UNL1111111111 -0.4295 4 N -2.8715 -0.5019 -1.0557 N.pl3 1 UNL1111111111 -0.3625 5 N 3.8269 -0.0226 -0.2291 N.am 1 UNL1111111111 -0.5599 6 N -4.5534 0.9677 -0.2723 N.ar 1 UNL1111111111 -0.5199 7 N -4.5210 -1.3564 0.4136 N.ar 1 UNL1111111111 -0.5190 8 C -1.0086 0.9720 -0.2980 C.3 1 UNL1111111111 0.0156 9 C 1.7877 1.1446 0.5758 C.3 1 UNL1111111111 -0.1347 10 C -0.1025 2.1218 -0.7800 C.3 1 UNL1111111111 -0.2795 11 C 0.8324 0.0097 0.9992 C.3 1 UNL1111111111 -0.1248 12 C 0.9838 2.4131 0.2572 C.3 1 UNL1111111111 -0.2747 13 C -2.0377 0.6566 -1.4199 C.3 1 UNL1111111111 -0.1106 14 C -1.0149 -1.4049 0.3243 C.3 1 UNL1111111111 -0.1522 15 C 2.6309 0.7108 -0.6456 C.3 1 UNL1111111111 -0.0615 16 C -2.0411 -1.6922 -0.7941 C.3 1 UNL1111111111 -0.0900 17 C -3.9813 -0.2844 -0.2601 C.ar 1 UNL1111111111 0.4932 18 C 4.9540 0.6036 0.3370 C.2 1 UNL1111111111 0.5870 19 C 3.9507 -1.4253 -0.2705 C.2 1 UNL1111111111 0.5855 20 C 5.9699 -0.4690 0.6934 C.3 1 UNL1111111111 -0.3576 21 C 5.3118 -1.7990 0.2976 C.3 1 UNL1111111111 -0.3565 22 C -5.7229 1.1202 0.3648 C.ar 1 UNL1111111111 0.1651 23 C -5.6900 -1.1672 1.0421 C.ar 1 UNL1111111111 0.1638 24 C -6.3491 0.0686 1.0457 C.ar 1 UNL1111111111 -0.4180 25 H -1.5593 1.2877 0.6237 H 1 UNL1111111111 0.1246 26 H 2.4766 1.3661 1.4274 H 1 UNL1111111111 0.1455 27 H -0.7130 3.0249 -0.9640 H 1 UNL1111111111 0.1423 28 H 0.3607 1.8533 -1.7489 H 1 UNL1111111111 0.1489 29 H 1.4165 -0.9292 1.1333 H 1 UNL1111111111 0.1448 30 H 0.3728 0.2556 1.9802 H 1 UNL1111111111 0.1176 31 H 1.6572 3.2143 -0.1021 H 1 UNL1111111111 0.1446 32 H 0.5266 2.8047 1.1868 H 1 UNL1111111111 0.1436 33 H -2.6735 1.5476 -1.6232 H 1 UNL1111111111 0.1740 34 H -1.5109 0.4012 -2.3683 H 1 UNL1111111111 0.1635 35 H -1.5414 -1.2645 1.2921 H 1 UNL1111111111 0.1269 36 H -0.3425 -2.2852 0.4353 H 1 UNL1111111111 0.1565 37 H 2.9497 1.6003 -1.2353 H 1 UNL1111111111 0.1510 38 H 2.0187 0.0567 -1.3184 H 1 UNL1111111111 0.1887 39 H -1.5161 -1.9470 -1.7447 H 1 UNL1111111111 0.1646 40 H -2.6801 -2.5634 -0.5231 H 1 UNL1111111111 0.1746 41 H 6.9212 -0.2897 0.1588 H 1 UNL1111111111 0.1812 42 H 6.2184 -0.4210 1.7698 H 1 UNL1111111111 0.1808 43 H 5.1937 -2.4867 1.1552 H 1 UNL1111111111 0.1803 44 H 5.9000 -2.3562 -0.4549 H 1 UNL1111111111 0.1806 45 H -6.0947 -2.0455 1.5629 H 1 UNL1111111111 0.1724 46 H -6.1556 2.1290 0.3246 H 1 UNL1111111111 0.1726 47 H -7.2918 0.2060 1.5549 H 1 UNL1111111111 0.1793 @BOND 1 1 18 2 2 2 19 2 3 3 8 1 4 3 11 1 5 3 14 1 6 4 13 1 7 4 16 1 8 4 17 1 9 5 15 1 10 5 18 am 11 5 19 am 12 6 17 ar 13 6 22 ar 14 7 17 ar 15 7 23 ar 16 8 10 1 17 8 13 1 18 8 25 1 19 9 11 1 20 9 12 1 21 9 15 1 22 9 26 1 23 10 12 1 24 10 27 1 25 10 28 1 26 11 29 1 27 11 30 1 28 12 31 1 29 12 32 1 30 13 33 1 31 13 34 1 32 14 16 1 33 14 35 1 34 14 36 1 35 15 37 1 36 15 38 1 37 16 39 1 38 16 40 1 39 18 20 1 40 19 21 1 41 20 21 1 42 20 41 1 43 20 42 1 44 21 43 1 45 21 44 1 46 22 24 ar 47 22 46 1 48 23 24 ar 49 23 45 1 50 24 47 1