@MOLECULE 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid 62 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.7546 2.4867 0.9765 O.2 1 UNL1111 -0.5643 2 C 5.7788 1.8349 0.9819 C.2 1 UNL1111 0.6788 3 O 6.9152 2.3812 1.4742 O.3 1 UNL1111 -0.5329 4 C 5.9741 0.4682 0.5023 C.ar 1 UNL1111 -0.3171 5 C 7.2450 -0.1029 0.6072 C.ar 1 UNL1111 0.0602 6 C 7.4629 -1.4001 0.1554 C.ar 1 UNL1111 -0.1952 7 N 8.7811 -1.9863 0.2594 N.pl3 1 UNL1111 0.6457 8 O 8.9400 -3.1253 -0.1513 O.2 1 UNL1111 -0.4104 9 O 9.6746 -1.3161 0.7523 O.2 1 UNL1111 -0.4079 10 C 6.4114 -2.1524 -0.4018 C.ar 1 UNL1111 0.0200 11 C 5.1542 -1.6001 -0.5087 C.ar 1 UNL1111 -0.2913 12 C 4.9018 -0.2774 -0.0694 C.ar 1 UNL1111 0.3669 13 N 3.6550 0.3169 -0.1793 N.am 1 UNL1111 -0.5660 14 C 2.5158 -0.2364 -0.8087 C.2 1 UNL1111 0.5912 15 O 2.5185 -1.3455 -1.2784 O.2 1 UNL1111 -0.4512 16 C 1.3385 0.6727 -0.8288 C.ar 1 UNL1111 -0.0766 17 C 0.1137 0.1540 -0.4358 C.ar 1 UNL1111 -0.1950 18 C 1.4610 1.9931 -1.2696 C.ar 1 UNL1111 -0.1932 19 C 0.3353 2.8109 -1.2977 C.ar 1 UNL1111 -0.0723 20 C -0.9085 2.3250 -0.8968 C.ar 1 UNL1111 -0.2725 21 C -1.0105 0.9980 -0.4757 C.ar 1 UNL1111 0.2506 22 O -2.1451 0.3832 -0.0684 O.3 1 UNL1111 -0.3337 23 C -3.3702 1.1198 -0.1777 C.3 1 UNL1111 -0.0446 24 C -4.4346 0.0735 0.1546 C.3 1 UNL1111 -0.2933 25 C -5.8291 0.6955 0.0416 C.3 1 UNL1111 -0.2695 26 C -6.9108 -0.3700 0.2596 C.3 1 UNL1111 -0.2692 27 C -8.3092 0.2378 0.0932 C.3 1 UNL1111 -0.2727 28 C -9.3906 -0.8244 0.3278 C.3 1 UNL1111 -0.2729 29 C -10.7893 -0.2249 0.1353 C.3 1 UNL1111 -0.2751 30 C -11.8719 -1.2641 0.4515 C.3 1 UNL1111 -0.2719 31 C -13.2728 -0.6625 0.2772 C.3 1 UNL1111 -0.2510 32 C -14.3509 -1.6837 0.6403 C.3 1 UNL1111 -0.4394 33 H 6.7879 3.3106 1.8030 H 1 UNL1111 0.3646 34 H 8.0782 0.4724 1.0454 H 1 UNL1111 0.2046 35 H 6.6030 -3.1774 -0.7470 H 1 UNL1111 0.1870 36 H 4.3442 -2.1997 -0.9400 H 1 UNL1111 0.2168 37 H 3.5608 1.2718 0.2176 H 1 UNL1111 0.3613 38 H 0.0049 -0.8819 -0.1131 H 1 UNL1111 0.1884 39 H 2.4230 2.3838 -1.5964 H 1 UNL1111 0.1654 40 H 0.4265 3.8442 -1.6350 H 1 UNL1111 0.1559 41 H -1.7734 2.9801 -0.9169 H 1 UNL1111 0.1640 42 H -3.3506 1.9491 0.5492 H 1 UNL1111 0.1288 43 H -3.4809 1.5099 -1.2040 H 1 UNL1111 0.1288 44 H -4.3347 -0.7937 -0.5287 H 1 UNL1111 0.1585 45 H -4.2665 -0.3331 1.1709 H 1 UNL1111 0.1564 46 H -5.9471 1.5092 0.7822 H 1 UNL1111 0.1387 47 H -5.9613 1.1647 -0.9520 H 1 UNL1111 0.1386 48 H -6.7745 -1.2032 -0.4556 H 1 UNL1111 0.1400 49 H -6.8077 -0.8157 1.2667 H 1 UNL1111 0.1396 50 H -8.4456 1.0773 0.8001 H 1 UNL1111 0.1364 51 H -8.4175 0.6715 -0.9182 H 1 UNL1111 0.1365 52 H -9.2459 -1.6758 -0.3632 H 1 UNL1111 0.1377 53 H -9.2947 -1.2424 1.3474 H 1 UNL1111 0.1377 54 H -10.9150 0.6605 0.7859 H 1 UNL1111 0.1364 55 H -10.9056 0.1409 -0.9018 H 1 UNL1111 0.1363 56 H -11.7554 -2.1464 -0.2047 H 1 UNL1111 0.1369 57 H -11.7487 -1.6377 1.4852 H 1 UNL1111 0.1371 58 H -13.3794 0.2394 0.9091 H 1 UNL1111 0.1336 59 H -13.4106 -0.3206 -0.7658 H 1 UNL1111 0.1336 60 H -14.2835 -2.5783 0.0110 H 1 UNL1111 0.1427 61 H -14.2614 -2.0069 1.6835 H 1 UNL1111 0.1426 62 H -15.3548 -1.2647 0.5105 H 1 UNL1111 0.1407 @BOND 1 1 2 2 2 2 3 1 3 3 33 1 4 4 2 1 5 4 12 ar 6 5 4 ar 7 5 34 1 8 6 5 ar 9 6 10 ar 10 7 9 2 11 7 6 1 12 8 7 2 13 10 11 ar 14 10 35 1 15 11 12 ar 16 11 36 1 17 12 13 1 18 13 14 am 19 13 37 1 20 14 16 1 21 15 14 2 22 16 18 ar 23 16 17 ar 24 17 21 ar 25 17 38 1 26 18 19 ar 27 18 39 1 28 19 20 ar 29 19 40 1 30 20 41 1 31 21 20 ar 32 21 22 1 33 22 23 1 34 23 42 1 35 23 43 1 36 24 23 1 37 24 44 1 38 24 45 1 39 25 24 1 40 25 26 1 41 25 46 1 42 25 47 1 43 26 48 1 44 26 49 1 45 27 28 1 46 27 26 1 47 27 50 1 48 27 51 1 49 28 29 1 50 28 52 1 51 28 53 1 52 29 30 1 53 29 54 1 54 29 55 1 55 30 56 1 56 30 57 1 57 31 32 1 58 31 30 1 59 31 58 1 60 31 59 1 61 32 60 1 62 32 61 1 63 32 62 1