@MOLECULE n,5-diethyl-4-hydroxy-1-methyl-2-oxo-n-phenyl-1,2-dihydro-3-quinolinecarboxamide 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.3562 1.6859 0.2134 O.3 1 UNL1 -0.4492 2 O 0.4343 -3.0372 0.1001 O.2 1 UNL1 -0.4930 3 O -1.6672 -1.2008 1.5337 O.2 1 UNL1 -0.4274 4 N 2.3830 -1.8927 0.1737 N.ar 1 UNL1 -0.4287 5 N -1.9685 -0.0082 -0.4031 N.am 1 UNL1 -0.5396 6 C 2.4155 0.5442 0.1870 C.ar 1 UNL1 -0.2761 7 C 3.0966 -0.7086 0.1751 C.ar 1 UNL1 0.3067 8 C 3.1707 1.7403 0.1638 C.ar 1 UNL1 0.1768 9 C 0.2811 -0.6796 0.2925 C.ar 1 UNL1 -0.5142 10 C 0.9785 0.5011 0.2331 C.ar 1 UNL1 0.4604 11 C 0.9569 -1.9490 0.1997 C.ar 1 UNL1 0.6347 12 C 2.5409 3.1017 0.1618 C.3 1 UNL1 -0.2759 13 C 4.5136 -0.7292 0.1498 C.ar 1 UNL1 -0.3183 14 C -1.1706 -0.7291 0.5446 C.2 1 UNL1 0.6308 15 C 4.5565 1.6855 0.1331 C.ar 1 UNL1 -0.3036 16 C 5.2215 0.4534 0.1281 C.ar 1 UNL1 -0.0105 17 C 3.0949 -3.1779 0.1554 C.3 1 UNL1 -0.2389 18 C -1.6232 -0.2157 -1.8276 C.3 1 UNL1 -0.0478 19 C -3.3372 0.2227 -0.0727 C.ar 1 UNL1 0.2129 20 C 2.1114 3.4747 -1.2596 C.3 1 UNL1 -0.4167 21 C -1.7736 -1.6710 -2.2746 C.3 1 UNL1 -0.4842 22 C -3.6217 0.7498 1.1997 C.ar 1 UNL1 -0.2058 23 C -4.3778 0.0238 -0.9888 C.ar 1 UNL1 -0.2430 24 C -4.9297 1.0746 1.5366 C.ar 1 UNL1 -0.1054 25 C -5.6829 0.3613 -0.6375 C.ar 1 UNL1 -0.1071 26 C -5.9644 0.8872 0.6199 C.ar 1 UNL1 -0.1904 27 H 1.6785 3.1568 0.8608 H 1 UNL1 0.1753 28 H 3.2508 3.8632 0.5477 H 1 UNL1 0.1429 29 H 5.0512 -1.6727 0.1477 H 1 UNL1 0.1701 30 H 5.1408 2.6021 0.1107 H 1 UNL1 0.1635 31 H 6.3130 0.4362 0.1069 H 1 UNL1 0.1496 32 H 3.7500 -3.2786 1.0377 H 1 UNL1 0.1490 33 H 3.6883 -3.2861 -0.7678 H 1 UNL1 0.1468 34 H 2.3724 -4.0226 0.1857 H 1 UNL1 0.1930 35 H -2.2497 0.4598 -2.4516 H 1 UNL1 0.1424 36 H -0.5693 0.1191 -1.9756 H 1 UNL1 0.1450 37 H 2.9635 3.4723 -1.9485 H 1 UNL1 0.1401 38 H 1.6632 4.4739 -1.2859 H 1 UNL1 0.1428 39 H 1.3668 2.7698 -1.6516 H 1 UNL1 0.1574 40 H -0.6471 1.5980 0.1544 H 1 UNL1 0.3670 41 H -1.5488 -1.7861 -3.3393 H 1 UNL1 0.1511 42 H -2.7849 -2.0564 -2.0993 H 1 UNL1 0.1591 43 H -1.0916 -2.3367 -1.7209 H 1 UNL1 0.1787 44 H -2.8255 0.8869 1.9299 H 1 UNL1 0.1700 45 H -4.1881 -0.4032 -1.9695 H 1 UNL1 0.1608 46 H -5.1477 1.4750 2.5261 H 1 UNL1 0.1509 47 H -6.4884 0.2048 -1.3537 H 1 UNL1 0.1469 48 H -6.9847 1.1437 0.8894 H 1 UNL1 0.1508 @BOND 1 41 21 1 2 35 18 1 3 21 42 1 4 21 18 1 5 21 43 1 6 36 18 1 7 45 23 1 8 37 20 1 9 18 5 1 10 39 20 1 11 47 25 1 12 38 20 1 13 20 12 1 14 23 25 ar 15 23 19 ar 16 33 17 1 17 25 26 ar 18 5 19 1 19 5 14 am 20 19 22 ar 21 2 11 2 22 31 16 1 23 30 15 1 24 16 15 ar 25 16 13 ar 26 15 8 ar 27 29 13 1 28 13 7 ar 29 40 1 1 30 17 4 1 31 17 34 1 32 17 32 1 33 12 8 1 34 12 28 1 35 12 27 1 36 8 6 ar 37 4 7 ar 38 4 11 ar 39 7 6 ar 40 6 10 ar 41 11 9 ar 42 1 10 1 43 10 9 ar 44 9 14 1 45 14 3 2 46 26 48 1 47 26 24 ar 48 22 24 ar 49 22 44 1 50 24 46 1