@MOLECULE (8as)-8a-methyl-1,3-dioxo-2-[(1s,2r)-2-phenylcyclopropyl]-n-(1-phenyl-1h-pyrazol-5-yl)hexahydroimidazo[1,5-a]pyrazine-7(1h)-carboxamide 61 66 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.6995 0.9831 0.4918 O.2 1 UNL111 -0.4368 2 O 2.8277 -3.4669 0.1810 O.2 1 UNL111 -0.4692 3 O -3.1295 -2.8704 -0.2822 O.2 1 UNL111 -0.5060 4 N 2.6225 -1.1416 0.4285 N.am 1 UNL111 -0.5512 5 N 0.8277 -2.3567 -0.2857 N.am 1 UNL111 -0.5090 6 N -1.5965 -2.0595 1.2590 N.am 1 UNL111 -0.4622 7 N -3.4320 -0.7448 0.5149 N.am 1 UNL111 -0.5730 8 N -5.0165 0.7780 -0.5393 N.ar 1 UNL111 -0.1806 9 N -6.1723 0.7373 -1.2651 N.ar 1 UNL111 -0.2324 10 C 3.9984 -0.7607 0.5956 C.3 1 UNL111 0.0461 11 C 4.7823 -0.2791 -0.6314 C.3 1 UNL111 -0.1984 12 C 5.1147 -1.6023 0.0193 C.3 1 UNL111 -0.3120 13 C 0.2997 -0.9940 -0.0223 C.3 1 UNL111 0.1204 14 C 1.5896 -0.1967 0.3153 C.2 1 UNL111 0.5372 15 C 5.6721 0.8904 -0.4820 C.ar 1 UNL111 0.0046 16 C 2.1702 -2.4621 0.1342 C.2 1 UNL111 0.6896 17 C -0.6262 -0.9562 1.2276 C.3 1 UNL111 -0.1214 18 C -0.0826 -3.4891 -0.1292 C.3 1 UNL111 -0.1002 19 C -0.3502 -0.4227 -1.2699 C.3 1 UNL111 -0.4571 20 C -0.9245 -3.3734 1.1614 C.3 1 UNL111 -0.1183 21 C 5.1431 2.1036 -0.0350 C.ar 1 UNL111 -0.1653 22 C 7.0260 0.7928 -0.8053 C.ar 1 UNL111 -0.1605 23 C -2.7428 -1.9600 0.4155 C.2 1 UNL111 0.6975 24 C 5.9725 3.2137 0.0974 C.ar 1 UNL111 -0.1409 25 C 7.8516 1.9072 -0.6728 C.ar 1 UNL111 -0.1433 26 C 7.3271 3.1163 -0.2198 C.ar 1 UNL111 -0.1542 27 C -4.5803 -0.5291 -0.2476 C.ar 1 UNL111 0.2472 28 C -5.4751 -1.4036 -0.8653 C.ar 1 UNL111 -0.2945 29 C -6.4469 -0.5644 -1.4916 C.ar 1 UNL111 -0.0402 30 C -4.4927 2.0159 -0.0825 C.ar 1 UNL111 0.1716 31 C -3.1072 2.2216 -0.1088 C.ar 1 UNL111 -0.2164 32 C -5.3606 3.0142 0.3763 C.ar 1 UNL111 -0.1649 33 C -2.5915 3.4216 0.3709 C.ar 1 UNL111 -0.1098 34 C -4.8268 4.2124 0.8407 C.ar 1 UNL111 -0.1174 35 C -3.4469 4.4128 0.8499 C.ar 1 UNL111 -0.1628 36 H 4.1517 -0.2433 1.5583 H 1 UNL111 0.1806 37 H 4.2802 -0.2992 -1.6100 H 1 UNL111 0.1796 38 H 6.0334 -1.7167 0.5919 H 1 UNL111 0.1719 39 H 4.8905 -2.5340 -0.5029 H 1 UNL111 0.1891 40 H -0.0146 -1.0337 2.1609 H 1 UNL111 0.1693 41 H -1.1303 0.0320 1.2839 H 1 UNL111 0.1630 42 H 0.4966 -4.4414 -0.1427 H 1 UNL111 0.1734 43 H -0.7564 -3.5075 -1.0242 H 1 UNL111 0.1824 44 H -0.4907 0.6644 -1.1901 H 1 UNL111 0.1703 45 H 0.2672 -0.6040 -2.1644 H 1 UNL111 0.1786 46 H -1.3259 -0.8847 -1.4778 H 1 UNL111 0.1726 47 H -1.6910 -4.1832 1.1900 H 1 UNL111 0.1772 48 H -0.2931 -3.4981 2.0689 H 1 UNL111 0.1579 49 H 4.0815 2.1753 0.2089 H 1 UNL111 0.1691 50 H 7.4330 -0.1519 -1.1605 H 1 UNL111 0.1561 51 H 5.5620 4.1584 0.4481 H 1 UNL111 0.1494 52 H 8.9077 1.8328 -0.9235 H 1 UNL111 0.1475 53 H 7.9740 3.9841 -0.1153 H 1 UNL111 0.1473 54 H -3.2003 -0.0666 1.2346 H 1 UNL111 0.3320 55 H -5.4371 -2.4731 -0.8743 H 1 UNL111 0.2030 56 H -7.2998 -0.8680 -2.0732 H 1 UNL111 0.1857 57 H -2.4438 1.4683 -0.5310 H 1 UNL111 0.1695 58 H -6.4400 2.8513 0.3552 H 1 UNL111 0.1839 59 H -1.5133 3.5883 0.3616 H 1 UNL111 0.1625 60 H -5.4936 4.9969 1.1990 H 1 UNL111 0.1576 61 H -3.0381 5.3496 1.2242 H 1 UNL111 0.1546 @BOND 1 45 19 1 2 56 29 1 3 37 11 1 4 29 9 ar 5 29 28 ar 6 46 19 1 7 19 44 1 8 19 13 1 9 9 8 ar 10 50 22 1 11 43 18 1 12 52 25 1 13 55 28 1 14 28 27 ar 15 22 25 ar 16 22 15 ar 17 25 26 ar 18 11 15 1 19 11 12 1 20 11 10 1 21 8 27 ar 22 8 30 1 23 57 31 1 24 39 12 1 25 15 21 ar 26 5 18 1 27 5 13 1 28 5 16 am 29 3 23 2 30 27 7 1 31 26 53 1 32 26 24 ar 33 42 18 1 34 18 20 1 35 31 30 ar 36 31 33 ar 37 30 32 ar 38 21 24 ar 39 21 49 1 40 13 14 1 41 13 17 1 42 12 38 1 43 12 10 1 44 24 51 1 45 16 2 2 46 16 4 am 47 14 4 am 48 14 1 2 49 58 32 1 50 59 33 1 51 33 35 ar 52 32 34 ar 53 23 7 am 54 23 6 am 55 4 10 1 56 7 54 1 57 10 36 1 58 34 35 ar 59 34 60 1 60 35 61 1 61 20 47 1 62 20 6 1 63 20 48 1 64 17 6 1 65 17 41 1 66 17 40 1