@MOLECULE 1-(4-bromophenyl)-3-[2-(3-isopropenylphenyl)-2-propanyl]urea 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1558 -1.5396 -0.3471 O.2 1 UNL1111111111 -0.5365 2 C -0.1480 -0.4113 -0.0249 C.2 1 UNL1111111111 0.7336 3 N 0.8044 0.5744 0.3128 N.am 1 UNL1111111111 -0.5935 4 C 2.1981 0.3882 0.2307 C.ar 1 UNL1111111111 0.2515 5 C 2.9985 1.5339 0.4182 C.ar 1 UNL1111111111 -0.2628 6 C 4.3834 1.4302 0.3670 C.ar 1 UNL1111111111 -0.0931 7 C 2.8013 -0.8568 -0.0014 C.ar 1 UNL1111111111 -0.2198 8 C 4.1879 -0.9532 -0.0520 C.ar 1 UNL1111111111 -0.0947 9 C 4.9596 0.1882 0.1306 C.ar 1 UNL1111111111 -0.0802 10 BR 6.8505 0.0471 0.0559 Br 1 UNL1111111111 -0.0667 11 N -1.4589 0.0645 0.0076 N.am 1 UNL1111111111 -0.6493 12 C -2.5894 -0.8644 -0.2811 C.3 1 UNL1111111111 0.3110 13 C -2.3926 -1.5334 -1.6507 C.3 1 UNL1111111111 -0.4729 14 C -2.6654 -1.9300 0.8236 C.3 1 UNL1111111111 -0.4973 15 C -3.8447 -0.0009 -0.3689 C.ar 1 UNL1111111111 -0.0544 16 C -3.8005 1.1888 -1.1031 C.ar 1 UNL1111111111 -0.1625 17 C -4.9396 1.9771 -1.2370 C.ar 1 UNL1111111111 -0.1408 18 C -6.1390 1.5789 -0.6516 C.ar 1 UNL1111111111 -0.1611 19 C -6.1922 0.3835 0.0657 C.ar 1 UNL1111111111 -0.0134 20 C -5.0456 -0.4014 0.2117 C.ar 1 UNL1111111111 -0.1679 21 C -7.4635 -0.0644 0.6607 C.2 1 UNL1111111111 0.0445 22 C -8.1469 -1.0907 0.1493 C.2 1 UNL1111111111 -0.3529 23 C -7.9121 0.7092 1.8544 C.3 1 UNL1111111111 -0.4509 24 H 0.4890 1.5234 0.4861 H 1 UNL1111111111 0.3131 25 H 2.5410 2.5019 0.6031 H 1 UNL1111111111 0.1596 26 H 4.9960 2.3210 0.5118 H 1 UNL1111111111 0.1651 27 H 2.1971 -1.7572 -0.1456 H 1 UNL1111111111 0.2064 28 H 4.6494 -1.9256 -0.2349 H 1 UNL1111111111 0.1693 29 H -1.6974 0.8514 0.5960 H 1 UNL1111111111 0.3095 30 H -2.1435 -0.7993 -2.4258 H 1 UNL1111111111 0.1597 31 H -1.5730 -2.2673 -1.6279 H 1 UNL1111111111 0.1840 32 H -3.3018 -2.0573 -1.9637 H 1 UNL1111111111 0.1541 33 H -3.4284 -2.6841 0.6031 H 1 UNL1111111111 0.1582 34 H -1.7083 -2.4700 0.9059 H 1 UNL1111111111 0.1822 35 H -2.8834 -1.4939 1.8028 H 1 UNL1111111111 0.1510 36 H -2.8731 1.4953 -1.5882 H 1 UNL1111111111 0.1641 37 H -4.8958 2.9023 -1.8091 H 1 UNL1111111111 0.1524 38 H -7.0338 2.1880 -0.7624 H 1 UNL1111111111 0.1563 39 H -5.1148 -1.3310 0.7755 H 1 UNL1111111111 0.1642 40 H -7.8220 -1.6486 -0.7151 H 1 UNL1111111111 0.1532 41 H -9.0816 -1.4467 0.5498 H 1 UNL1111111111 0.1511 42 H -8.0836 1.7663 1.6037 H 1 UNL1111111111 0.1591 43 H -8.8455 0.3208 2.2830 H 1 UNL1111111111 0.1566 44 H -7.1521 0.6871 2.6502 H 1 UNL1111111111 0.1610 @BOND 1 2 1 2 2 2 3 am 3 3 4 1 4 3 24 1 5 4 5 ar 6 4 7 ar 7 5 6 ar 8 5 25 1 9 6 9 ar 10 6 26 1 11 7 8 ar 12 7 27 1 13 8 9 ar 14 8 28 1 15 9 10 1 16 11 2 am 17 11 29 1 18 12 15 1 19 12 11 1 20 13 12 1 21 13 30 1 22 13 31 1 23 13 32 1 24 14 12 1 25 14 33 1 26 14 34 1 27 14 35 1 28 15 20 ar 29 16 17 ar 30 16 15 ar 31 16 36 1 32 17 18 ar 33 17 37 1 34 18 19 ar 35 18 38 1 36 19 21 1 37 20 19 ar 38 20 39 1 39 21 22 2 40 21 23 1 41 22 40 1 42 22 41 1 43 23 42 1 44 23 43 1 45 23 44 1