@MOLECULE 1-benzyl-3-(2-{[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)urea 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1707 3.5995 0.2318 O.3 1 UNL1111111111 -0.5505 2 O -1.0717 1.6192 0.1485 O.3 1 UNL1111111111 -0.3678 3 O -1.7313 -3.5774 0.8280 O.2 1 UNL1111111111 -0.5602 4 O 4.3397 2.1429 0.6256 O.3 1 UNL1111111111 -0.4702 5 N -4.1447 0.1177 -0.3456 N.3 1 UNL1111111111 -0.5621 6 N -2.6197 -2.1581 -0.7622 N.am 1 UNL1111111111 -0.5650 7 N -0.3917 -1.9256 -0.0749 N.am 1 UNL1111111111 -0.6304 8 C -3.2006 2.3794 -0.4702 C.3 1 UNL1111111111 0.1310 9 C -3.7677 1.2899 0.4677 C.3 1 UNL1111111111 -0.1617 10 C -4.4689 -1.0685 0.4802 C.3 1 UNL1111111111 -0.1549 11 C -1.7971 2.0467 -1.0036 C.3 1 UNL1111111111 -0.0943 12 C -4.0019 -2.3299 -0.3038 C.3 1 UNL1111111111 -0.0752 13 C -1.6044 -2.6203 0.0896 C.2 1 UNL1111111111 0.7040 14 C 0.7845 -2.4293 0.6504 C.3 1 UNL1111111111 -0.0714 15 C 0.2800 1.8022 0.1785 C.ar 1 UNL1111111111 0.1752 16 C 2.0716 -1.9346 0.0358 C.ar 1 UNL1111111111 -0.0081 17 C 1.0321 2.5004 -0.7634 C.ar 1 UNL1111111111 -0.2211 18 C 0.8671 1.1936 1.2986 C.ar 1 UNL1111111111 -0.1805 19 C 2.1230 -1.4174 -1.2577 C.ar 1 UNL1111111111 -0.1545 20 C 3.2469 -2.0342 0.7874 C.ar 1 UNL1111111111 -0.1824 21 C 2.4086 2.6006 -0.5889 C.ar 1 UNL1111111111 -0.1768 22 C 2.2410 1.2873 1.4722 C.ar 1 UNL1111111111 -0.2264 23 C 2.9909 1.9906 0.5240 C.ar 1 UNL1111111111 0.2317 24 C 3.3341 -0.9782 -1.7897 C.ar 1 UNL1111111111 -0.1360 25 C 4.4597 -1.6131 0.2464 C.ar 1 UNL1111111111 -0.1477 26 C 4.5037 -1.0765 -1.0407 C.ar 1 UNL1111111111 -0.1569 27 H -3.8973 2.5963 -1.3131 H 1 UNL1111111111 0.1461 28 H -4.6186 1.7170 1.0436 H 1 UNL1111111111 0.1354 29 H -2.9945 0.9897 1.2178 H 1 UNL1111111111 0.1630 30 H -3.9339 -1.0264 1.4530 H 1 UNL1111111111 0.1500 31 H -5.5476 -1.1446 0.7174 H 1 UNL1111111111 0.1239 32 H -4.9068 0.3365 -0.9846 H 1 UNL1111111111 0.2586 33 H -1.3482 2.9367 -1.4774 H 1 UNL1111111111 0.1446 34 H -1.8108 1.2005 -1.7117 H 1 UNL1111111111 0.1453 35 H -4.6406 -2.4888 -1.1994 H 1 UNL1111111111 0.1452 36 H -4.0938 -3.2369 0.3360 H 1 UNL1111111111 0.1674 37 H -2.4781 -1.2627 -1.2300 H 1 UNL1111111111 0.3125 38 H -2.4151 3.6180 0.8579 H 1 UNL1111111111 0.3299 39 H 0.7722 -3.5491 0.6234 H 1 UNL1111111111 0.1806 40 H 0.7321 -2.1408 1.7249 H 1 UNL1111111111 0.1393 41 H -0.4277 -0.9224 -0.2053 H 1 UNL1111111111 0.3124 42 H 0.5678 2.9649 -1.6291 H 1 UNL1111111111 0.1645 43 H 0.2460 0.6587 2.0139 H 1 UNL1111111111 0.1706 44 H 1.2190 -1.3662 -1.8644 H 1 UNL1111111111 0.1649 45 H 3.2210 -2.4520 1.7918 H 1 UNL1111111111 0.1513 46 H 3.0327 3.1382 -1.2998 H 1 UNL1111111111 0.1756 47 H 2.7242 0.8151 2.3222 H 1 UNL1111111111 0.1635 48 H 3.3632 -0.5590 -2.7933 H 1 UNL1111111111 0.1478 49 H 5.3756 -1.7099 0.8229 H 1 UNL1111111111 0.1445 50 H 5.4481 -0.7365 -1.4590 H 1 UNL1111111111 0.1494 51 H 4.7232 1.5703 1.3327 H 1 UNL1111111111 0.3257 @BOND 1 1 8 1 2 1 38 1 3 2 11 1 4 2 15 1 5 3 13 2 6 4 23 1 7 4 51 1 8 5 9 1 9 5 10 1 10 5 32 1 11 6 12 1 12 6 13 am 13 6 37 1 14 7 13 am 15 7 14 1 16 7 41 1 17 8 9 1 18 8 11 1 19 8 27 1 20 9 28 1 21 9 29 1 22 10 12 1 23 10 30 1 24 10 31 1 25 11 33 1 26 11 34 1 27 12 35 1 28 12 36 1 29 14 16 1 30 14 39 1 31 14 40 1 32 15 17 ar 33 15 18 ar 34 16 19 ar 35 16 20 ar 36 17 21 ar 37 17 42 1 38 18 22 ar 39 18 43 1 40 19 24 ar 41 19 44 1 42 20 25 ar 43 20 45 1 44 21 23 ar 45 21 46 1 46 22 23 ar 47 22 47 1 48 24 26 ar 49 24 48 1 50 25 26 ar 51 25 49 1 52 26 50 1