@MOLECULE (1r)-2-(5-chloro-2,4-dihydroxybenzoyl)-n-ethyl-1-isoindolinecarboxamide 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.7266 -0.0723 -0.1546 N.am 1 UNL11111 -0.4679 2 C 4.0504 -1.5964 -0.8159 C.ar 1 UNL11111 -0.1152 3 C 2.7525 -1.2232 -0.5255 C.ar 1 UNL11111 -0.0317 4 C 1.7790 -2.1832 -0.1987 C.ar 1 UNL11111 -0.0363 5 C 0.4715 -1.5117 0.1134 C.3 1 UNL11111 -0.0665 6 C 2.1579 0.1566 -0.4914 C.3 1 UNL11111 -0.0094 7 C -1.6553 0.5796 -0.4169 C.ar 1 UNL11111 -0.3689 8 C -4.4186 0.0946 -0.3234 C.ar 1 UNL11111 0.3726 9 C -2.5447 1.1981 -1.3330 C.ar 1 UNL11111 0.4308 10 C 2.9792 3.2816 1.5828 C.3 1 UNL11111 -0.0406 11 C 4.3662 -2.9612 -0.7901 C.ar 1 UNL11111 -0.1409 12 C 3.3986 -3.9123 -0.4786 C.ar 1 UNL11111 -0.1380 13 C 2.0858 -3.5294 -0.1742 C.ar 1 UNL11111 -0.1574 14 C -0.2170 0.8279 -0.5779 C.2 1 UNL11111 0.6381 15 C -2.1962 -0.1976 0.6104 C.ar 1 UNL11111 0.0203 16 C -3.5543 -0.4466 0.6486 C.ar 1 UNL11111 -0.2425 17 C -3.9210 0.9304 -1.3164 C.ar 1 UNL11111 -0.3766 18 O -2.1359 2.0617 -2.2620 O.3 1 UNL11111 -0.4532 19 O -5.7443 -0.1277 -0.3645 O.3 1 UNL11111 -0.4360 20 CL -4.1824 -1.4177 1.8988 Cl 1 UNL11111 -0.0622 21 O 0.1859 1.8781 -1.0984 O.2 1 UNL11111 -0.6465 22 C 2.8272 1.0227 0.6018 C.2 1 UNL11111 0.5584 23 N 2.4094 2.3244 0.6298 N.am 1 UNL11111 -0.5842 24 C 3.7245 4.3943 0.8369 C.3 1 UNL11111 -0.4655 25 O 3.6804 0.5814 1.3414 O.2 1 UNL11111 -0.5269 26 H 4.8138 -0.8525 -1.0366 H 1 UNL11111 0.1666 27 H 0.2077 -1.6456 1.1893 H 1 UNL11111 0.1638 28 H -0.3652 -1.8958 -0.5099 H 1 UNL11111 0.1600 29 H 2.2526 0.6742 -1.4854 H 1 UNL11111 0.1847 30 H 2.1561 3.7077 2.2005 H 1 UNL11111 0.1320 31 H 3.6710 2.7520 2.2824 H 1 UNL11111 0.1666 32 H 5.3852 -3.2764 -1.0100 H 1 UNL11111 0.1541 33 H 3.6634 -4.9682 -0.4639 H 1 UNL11111 0.1504 34 H 1.3383 -4.2758 0.0776 H 1 UNL11111 0.1552 35 H -1.5460 -0.5934 1.3993 H 1 UNL11111 0.1764 36 H -4.5806 1.3841 -2.0552 H 1 UNL11111 0.2101 37 H -1.1527 2.3153 -2.1168 H 1 UNL11111 0.3882 38 H -6.0738 -0.7129 0.3691 H 1 UNL11111 0.3420 39 H 1.6952 2.6594 -0.0083 H 1 UNL11111 0.3408 40 H 4.5498 3.9858 0.2403 H 1 UNL11111 0.1575 41 H 3.0636 4.9382 0.1529 H 1 UNL11111 0.1490 42 H 4.1499 5.1195 1.5385 H 1 UNL11111 0.1485 @BOND 1 1 5 1 2 1 6 1 3 1 14 am 4 2 3 ar 5 2 11 ar 6 2 26 1 7 3 4 ar 8 3 6 1 9 4 5 1 10 4 13 ar 11 5 27 1 12 5 28 1 13 6 22 1 14 6 29 1 15 7 9 ar 16 7 14 1 17 7 15 ar 18 8 16 ar 19 8 17 ar 20 8 19 1 21 9 17 ar 22 9 18 1 23 10 23 1 24 10 24 1 25 10 30 1 26 10 31 1 27 11 12 ar 28 11 32 1 29 12 13 ar 30 12 33 1 31 13 34 1 32 14 21 2 33 15 16 ar 34 15 35 1 35 16 20 1 36 17 36 1 37 18 37 1 38 19 38 1 39 22 23 am 40 22 25 2 41 23 39 1 42 24 40 1 43 24 41 1 44 24 42 1