@MOLECULE 4-chloro-3-{2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}benzoic acid 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.6143 1.2363 -2.1418 Cl 1 UNL1111111111 -0.0453 2 O 2.3626 -3.1625 -1.0178 O.3 1 UNL1111111111 -0.5563 3 O 0.1679 -1.2380 -0.8899 O.3 1 UNL1111111111 -0.3346 4 O -4.2355 -1.3617 1.4893 O.3 1 UNL1111111111 -0.5545 5 O -5.2423 0.5831 1.0892 O.2 1 UNL1111111111 -0.4911 6 N 2.1897 -0.0635 0.9507 N.3 1 UNL1111111111 -0.5843 7 C 3.0472 1.1053 1.2735 C.3 1 UNL1111111111 0.2877 8 C 2.7298 -0.9829 -0.0694 C.3 1 UNL1111111111 -0.1492 9 C 2.0002 -2.3417 0.0676 C.3 1 UNL1111111111 0.1378 10 C 2.2379 1.9673 2.2679 C.3 1 UNL1111111111 -0.4772 11 C 4.3379 0.6146 1.9535 C.3 1 UNL1111111111 -0.4682 12 C 3.3969 1.9606 0.0383 C.3 1 UNL1111111111 -0.5106 13 C 0.4680 -2.2070 0.1223 C.3 1 UNL1111111111 -0.1034 14 C -0.8882 -0.4209 -0.6683 C.ar 1 UNL1111111111 0.1900 15 C -2.0287 -0.7630 0.0574 C.ar 1 UNL1111111111 -0.1881 16 C -0.7985 0.8364 -1.2836 C.ar 1 UNL1111111111 -0.0538 17 C -3.0574 0.1733 0.1594 C.ar 1 UNL1111111111 -0.0846 18 C -1.8297 1.7570 -1.1899 C.ar 1 UNL1111111111 -0.1347 19 C -2.9681 1.4231 -0.4557 C.ar 1 UNL1111111111 -0.1227 20 C -4.2820 -0.1249 0.9269 C.2 1 UNL1111111111 0.6374 21 H 1.2580 0.2440 0.6731 H 1 UNL1111111111 0.2603 22 H 2.6200 -0.6000 -1.1064 H 1 UNL1111111111 0.1320 23 H 3.8166 -1.1454 0.0946 H 1 UNL1111111111 0.1531 24 H 2.3704 -2.9139 0.9500 H 1 UNL1111111111 0.1579 25 H 1.3223 2.3593 1.8153 H 1 UNL1111111111 0.1430 26 H 2.8266 2.8196 2.6181 H 1 UNL1111111111 0.1494 27 H 1.9469 1.3751 3.1445 H 1 UNL1111111111 0.1597 28 H 5.0270 0.1517 1.2411 H 1 UNL1111111111 0.1446 29 H 4.1055 -0.1332 2.7229 H 1 UNL1111111111 0.1609 30 H 4.8673 1.4407 2.4367 H 1 UNL1111111111 0.1445 31 H 3.8973 1.3709 -0.7352 H 1 UNL1111111111 0.1511 32 H 4.0681 2.7815 0.3094 H 1 UNL1111111111 0.1531 33 H 2.5038 2.4063 -0.4084 H 1 UNL1111111111 0.1514 34 H 0.1325 -1.8847 1.1227 H 1 UNL1111111111 0.1508 35 H -0.0379 -3.1432 -0.1746 H 1 UNL1111111111 0.1527 36 H 2.0492 -2.7823 -1.8645 H 1 UNL1111111111 0.3255 37 H -2.1218 -1.7427 0.5295 H 1 UNL1111111111 0.1927 38 H -1.7566 2.7325 -1.6754 H 1 UNL1111111111 0.1800 39 H -3.7905 2.1383 -0.3601 H 1 UNL1111111111 0.1844 40 H -5.0492 -1.5836 2.0093 H 1 UNL1111111111 0.3585 @BOND 1 1 16 1 2 2 9 1 3 2 36 1 4 3 13 1 5 3 14 1 6 4 20 1 7 4 40 1 8 5 20 2 9 6 7 1 10 6 8 1 11 6 21 1 12 7 10 1 13 7 11 1 14 7 12 1 15 8 9 1 16 8 22 1 17 8 23 1 18 9 13 1 19 9 24 1 20 10 25 1 21 10 26 1 22 10 27 1 23 11 28 1 24 11 29 1 25 11 30 1 26 12 31 1 27 12 32 1 28 12 33 1 29 13 34 1 30 13 35 1 31 14 15 ar 32 14 16 ar 33 15 17 ar 34 15 37 1 35 16 18 ar 36 17 19 ar 37 17 20 1 38 18 19 ar 39 18 38 1 40 19 39 1