@MOLECULE 6-ethyl-n-(1-glycoloyl-4-piperidinyl)-1-methyl-4-oxo-5-(2-oxo-2-phenylethyl)-3-(2,2,2-trifluoroethoxy)-4,5-dihydro-1h-pyrrolo[3,2-c]pyridine-2-carboxamide 72 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 2.2354 -3.0302 0.0010 F 1 UNL1 -0.2125 2 F 0.7334 -4.0278 1.1028 F 1 UNL1 -0.1987 3 F 1.7032 -2.3317 1.9134 F 1 UNL1 -0.1979 4 O 0.8643 -0.7110 -0.1135 O.3 1 UNL1 -0.3144 5 O 2.7259 2.8250 1.4361 O.2 1 UNL1 -0.5769 6 O 8.2205 0.6479 -1.6307 O.2 1 UNL1 -0.5370 7 O -2.3355 -1.1135 -0.7864 O.2 1 UNL1 -0.5647 8 O 9.7580 -1.3023 -0.7164 O.3 1 UNL1 -0.5292 9 O -5.2688 -0.0004 1.3363 O.2 1 UNL1 -0.4041 10 N 6.2225 -0.3100 -1.1520 N.am 1 UNL1 -0.4703 11 N 3.1815 0.7508 0.6714 N.am 1 UNL1 -0.5978 12 N -0.0213 2.6366 0.6661 N.ar 1 UNL1 -0.1434 13 N -3.5009 0.8166 -0.5820 N.ar 1 UNL1 -0.4119 14 C 4.6102 0.9011 0.9859 C.3 1 UNL1 0.1227 15 C 5.2585 -0.4912 1.1320 C.3 1 UNL1 -0.3460 16 C 5.3262 1.7458 -0.0905 C.3 1 UNL1 -0.3433 17 C 5.4714 -1.1741 -0.2312 C.3 1 UNL1 -0.0748 18 C 5.5323 0.9707 -1.3996 C.3 1 UNL1 -0.0680 19 C 0.9098 1.5799 0.5891 C.ar 1 UNL1 -0.1907 20 C 2.3177 1.7869 0.9362 C.2 1 UNL1 0.6202 21 C 7.6098 -0.2913 -1.1525 C.2 1 UNL1 0.5221 22 C -1.2524 2.1792 0.3040 C.ar 1 UNL1 0.2182 23 C -1.1456 0.7915 -0.0312 C.ar 1 UNL1 -0.3905 24 C 0.2163 0.4426 0.1520 C.ar 1 UNL1 0.2664 25 C -3.5946 2.1513 -0.2183 C.ar 1 UNL1 0.3047 26 C -2.4967 2.8548 0.2112 C.ar 1 UNL1 -0.4032 27 C -2.2884 0.0623 -0.4736 C.ar 1 UNL1 0.6497 28 C 8.3689 -1.5240 -0.6813 C.3 1 UNL1 -0.0865 29 C 0.3131 3.9793 1.0995 C.3 1 UNL1 -0.2411 30 C -4.9163 2.8623 -0.3377 C.3 1 UNL1 -0.2861 31 C -4.6900 0.0618 -0.9807 C.3 1 UNL1 -0.1926 32 C -5.0919 3.4048 -1.7555 C.3 1 UNL1 -0.4268 33 C 0.1233 -1.8996 0.1559 C.3 1 UNL1 -0.0908 34 C -5.5814 -0.2822 0.2080 C.2 1 UNL1 0.4320 35 C -6.8766 -0.9280 -0.1081 C.ar 1 UNL1 -0.1701 36 C 1.1827 -2.8154 0.7885 C.3 1 UNL1 0.5211 37 C -7.0511 -1.7313 -1.2356 C.ar 1 UNL1 -0.1063 38 C -7.9393 -0.7181 0.7742 C.ar 1 UNL1 -0.0794 39 C -8.2937 -2.3076 -1.4887 C.ar 1 UNL1 -0.1616 40 C -9.1817 -1.2925 0.5163 C.ar 1 UNL1 -0.1680 41 C -9.3591 -2.0852 -0.6163 C.ar 1 UNL1 -0.1081 42 H 4.6871 1.4494 1.9696 H 1 UNL1 0.1600 43 H 4.6387 -1.1358 1.7854 H 1 UNL1 0.1635 44 H 6.2272 -0.3782 1.6556 H 1 UNL1 0.1572 45 H 6.3033 2.0876 0.3025 H 1 UNL1 0.1598 46 H 4.7440 2.6697 -0.2818 H 1 UNL1 0.1699 47 H 5.9761 -2.1545 -0.1069 H 1 UNL1 0.1416 48 H 4.4905 -1.4045 -0.7112 H 1 UNL1 0.1543 49 H 4.5574 0.7493 -1.8881 H 1 UNL1 0.1457 50 H 6.1261 1.5777 -2.1232 H 1 UNL1 0.1675 51 H 2.8679 -0.0963 0.2304 H 1 UNL1 0.3258 52 H -2.5703 3.9016 0.4768 H 1 UNL1 0.1815 53 H 8.1664 -2.3959 -1.3354 H 1 UNL1 0.1548 54 H 8.1525 -1.7810 0.3733 H 1 UNL1 0.1540 55 H 0.6865 3.9659 2.1469 H 1 UNL1 0.1846 56 H 1.1392 4.3929 0.4827 H 1 UNL1 0.1811 57 H -0.5565 4.6520 1.0341 H 1 UNL1 0.1518 58 H -5.7686 2.2152 -0.0501 H 1 UNL1 0.1616 59 H -4.9594 3.6985 0.3956 H 1 UNL1 0.1673 60 H -5.2681 0.6193 -1.7528 H 1 UNL1 0.1700 61 H -4.3641 -0.8976 -1.4754 H 1 UNL1 0.2113 62 H -4.3038 4.1274 -2.0067 H 1 UNL1 0.1553 63 H -6.0541 3.9187 -1.8667 H 1 UNL1 0.1501 64 H -5.0515 2.6118 -2.5114 H 1 UNL1 0.1480 65 H -0.2558 -2.2769 -0.8190 H 1 UNL1 0.1971 66 H -0.7430 -1.7382 0.8303 H 1 UNL1 0.1920 67 H 9.9623 -0.4758 -1.2242 H 1 UNL1 0.3443 68 H -6.2228 -1.9261 -1.9163 H 1 UNL1 0.1540 69 H -7.7879 -0.1103 1.6699 H 1 UNL1 0.1692 70 H -8.4326 -2.9357 -2.3672 H 1 UNL1 0.1554 71 H -10.0107 -1.1273 1.2025 H 1 UNL1 0.1564 72 H -10.3303 -2.5359 -0.8181 H 1 UNL1 0.1506 @BOND 1 64 32 1 2 70 39 1 3 50 18 1 4 62 32 1 5 68 37 1 6 49 18 1 7 63 32 1 8 32 30 1 9 60 31 1 10 6 21 2 11 39 37 ar 12 39 41 ar 13 61 31 1 14 18 10 1 15 18 16 1 16 53 28 1 17 37 35 ar 18 67 8 1 19 21 10 am 20 21 28 1 21 10 17 1 22 31 13 1 23 31 34 1 24 65 33 1 25 72 41 1 26 7 27 2 27 8 28 1 28 48 17 1 29 28 54 1 30 41 40 ar 31 13 27 ar 32 13 25 ar 33 27 23 ar 34 30 25 1 35 30 58 1 36 30 59 1 37 46 16 1 38 17 47 1 39 17 15 1 40 25 26 ar 41 4 24 1 42 4 33 1 43 35 34 1 44 35 38 ar 45 16 45 1 46 16 14 1 47 23 24 ar 48 23 22 ar 49 1 36 1 50 24 19 ar 51 33 36 1 52 33 66 1 53 34 9 2 54 26 22 ar 55 26 52 1 56 51 11 1 57 22 12 ar 58 56 29 1 59 40 38 ar 60 40 71 1 61 19 12 ar 62 19 20 1 63 12 29 1 64 11 20 am 65 11 14 1 66 38 69 1 67 36 2 1 68 36 3 1 69 20 5 2 70 14 15 1 71 14 42 1 72 57 29 1 73 29 55 1 74 15 44 1 75 15 43 1