@MOLECULE 5-(2-{[4-(1,3-benzodioxol-5-yl)-2-butanyl]amino}-1-hydroxyethyl)-2-hydroxybenzamide 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1482 1.0221 -1.3034 O.3 1 UNL1111111111 -0.5591 2 O 1.9719 -1.8004 -1.0501 O.3 1 UNL1111111111 -0.3893 3 O 4.3067 -1.5180 -0.9313 O.3 1 UNL1111111111 -0.3416 4 O -0.6262 -2.7319 2.1672 O.3 1 UNL1111111111 -0.4684 5 O -2.6697 -3.8647 -0.8278 O.2 1 UNL1111111111 -0.4935 6 N -1.3602 3.1141 -0.1640 N.3 1 UNL1111111111 -0.5705 7 N -0.4261 -3.6755 -0.7338 N.am 1 UNL1111111111 -0.7143 8 C 0.0505 3.2424 -0.5901 C.3 1 UNL1111111111 0.0853 9 C 0.9021 3.5693 0.6582 C.3 1 UNL1111111111 -0.2764 10 C 1.0754 2.3332 1.5545 C.3 1 UNL1111111111 -0.2800 11 C -2.2016 2.4041 -1.1450 C.3 1 UNL1111111111 -0.1581 12 C -3.2378 1.5565 -0.3534 C.3 1 UNL1111111111 0.1602 13 C 0.2515 4.3308 -1.6604 C.3 1 UNL1111111111 -0.5091 14 C 1.9719 1.3209 0.9099 C.ar 1 UNL1111111111 0.0291 15 C -2.5862 0.3734 0.3015 C.ar 1 UNL1111111111 -0.1079 16 C 1.3938 0.2226 0.2383 C.ar 1 UNL1111111111 -0.2132 17 C 3.3548 1.4841 0.9760 C.ar 1 UNL1111111111 -0.1854 18 C 2.2706 -0.6621 -0.3361 C.ar 1 UNL1111111111 0.1439 19 C 3.6713 -0.4935 -0.2689 C.ar 1 UNL1111111111 0.1103 20 C -2.4641 -0.8332 -0.3805 C.ar 1 UNL1111111111 -0.0123 21 C 4.2446 0.5720 0.3810 C.ar 1 UNL1111111111 -0.1734 22 C -2.0823 0.5075 1.6015 C.ar 1 UNL1111111111 -0.0530 23 C -1.7993 -1.9059 0.2173 C.ar 1 UNL1111111111 -0.3053 24 C -1.4273 -0.5491 2.2161 C.ar 1 UNL1111111111 -0.2707 25 C 3.2497 -2.3758 -1.4057 C.3 1 UNL1111111111 0.1703 26 C -1.2856 -1.7512 1.5094 C.ar 1 UNL1111111111 0.3311 27 C -1.7159 -3.1934 -0.5037 C.2 1 UNL1111111111 0.5978 28 H 0.3836 2.2541 -1.0066 H 1 UNL1111111111 0.1507 29 H 1.8912 3.9487 0.3434 H 1 UNL1111111111 0.1425 30 H 0.4295 4.3841 1.2371 H 1 UNL1111111111 0.1378 31 H 1.4778 2.6370 2.5412 H 1 UNL1111111111 0.1462 32 H 0.0733 1.8969 1.7677 H 1 UNL1111111111 0.1736 33 H -1.7568 4.0153 0.0850 H 1 UNL1111111111 0.2553 34 H -2.7286 3.0848 -1.8422 H 1 UNL1111111111 0.1160 35 H -1.5933 1.7220 -1.7786 H 1 UNL1111111111 0.1598 36 H -3.7952 2.1810 0.3778 H 1 UNL1111111111 0.1197 37 H -0.3785 4.1481 -2.5368 H 1 UNL1111111111 0.1496 38 H 1.2905 4.3528 -2.0076 H 1 UNL1111111111 0.1564 39 H 0.0119 5.3271 -1.2786 H 1 UNL1111111111 0.1450 40 H 0.3136 0.0946 0.1897 H 1 UNL1111111111 0.1917 41 H 3.7676 2.3434 1.5024 H 1 UNL1111111111 0.1595 42 H -2.8929 -0.9460 -1.3820 H 1 UNL1111111111 0.1824 43 H 5.3193 0.7075 0.4370 H 1 UNL1111111111 0.1709 44 H -2.1958 1.4584 2.1260 H 1 UNL1111111111 0.1582 45 H -4.8038 1.6878 -1.5745 H 1 UNL1111111111 0.3143 46 H -1.0238 -0.4672 3.2216 H 1 UNL1111111111 0.1775 47 H 3.3049 -2.4017 -2.5031 H 1 UNL1111111111 0.1424 48 H 3.3394 -3.3409 -0.8875 H 1 UNL1111111111 0.1386 49 H -0.4869 -3.5363 1.5998 H 1 UNL1111111111 0.3444 50 H -0.3160 -4.5119 -1.2759 H 1 UNL1111111111 0.3045 51 H 0.3637 -3.0585 -0.7123 H 1 UNL1111111111 0.3165 @BOND 1 1 12 1 2 1 45 1 3 2 18 1 4 2 25 1 5 3 19 1 6 3 25 1 7 4 26 1 8 4 49 1 9 5 27 2 10 6 8 1 11 6 11 1 12 6 33 1 13 7 27 am 14 7 50 1 15 7 51 1 16 8 9 1 17 8 13 1 18 8 28 1 19 9 10 1 20 9 29 1 21 9 30 1 22 10 14 1 23 10 31 1 24 10 32 1 25 11 12 1 26 11 34 1 27 11 35 1 28 12 15 1 29 12 36 1 30 13 37 1 31 13 38 1 32 13 39 1 33 14 16 ar 34 14 17 ar 35 15 20 ar 36 15 22 ar 37 16 18 ar 38 16 40 1 39 17 21 ar 40 17 41 1 41 18 19 ar 42 19 21 ar 43 20 23 ar 44 20 42 1 45 21 43 1 46 22 24 ar 47 22 44 1 48 23 26 ar 49 23 27 1 50 24 26 ar 51 24 46 1 52 25 47 1 53 25 48 1