@MOLECULE 1-(4-aminobenzyl)-3-{2-[(2r)-2-(2-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl}urea 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.2161 2.6087 0.3534 C.3 1 UNL111111111 -0.1953 2 O 5.2804 1.6907 -0.1945 O.3 1 UNL111111111 -0.3260 3 C 5.4087 0.3859 0.1730 C.ar 1 UNL111111111 0.2319 4 C 6.5630 -0.1817 0.7071 C.ar 1 UNL111111111 -0.2863 5 C 6.5730 -1.5500 0.9768 C.ar 1 UNL111111111 -0.0846 6 C 5.4504 -2.3286 0.7157 C.ar 1 UNL111111111 -0.2237 7 C 4.2978 -1.7425 0.1878 C.ar 1 UNL111111111 -0.0827 8 C 4.2564 -0.3809 -0.0851 C.ar 1 UNL111111111 -0.1261 9 C 3.0357 0.3059 -0.6405 C.3 1 UNL111111111 0.1062 10 C 3.0232 0.2377 -2.1873 C.3 1 UNL111111111 -0.2901 11 C 2.1046 -0.9431 -2.5391 C.3 1 UNL111111111 -0.2770 12 C 1.1780 -1.1336 -1.3206 C.3 1 UNL111111111 -0.0718 13 N 1.7978 -0.3827 -0.2119 N.am 1 UNL111111111 -0.5021 14 C 1.1154 0.0688 0.8892 C.2 1 UNL111111111 0.5411 15 O 1.5573 0.9648 1.5840 O.2 1 UNL111111111 -0.5441 16 C -0.1886 -0.6318 1.2920 C.3 1 UNL111111111 -0.1433 17 N -1.2777 0.3430 1.3129 N.am 1 UNL111111111 -0.5833 18 C -2.0249 0.4831 0.1370 C.2 1 UNL111111111 0.7038 19 O -1.9273 -0.3096 -0.7851 O.2 1 UNL111111111 -0.5901 20 N -2.8823 1.5927 0.0985 N.am 1 UNL111111111 -0.5760 21 C -3.9307 1.5584 -0.9430 C.3 1 UNL111111111 -0.0647 22 C -5.1267 0.7664 -0.4976 C.ar 1 UNL111111111 -0.1676 23 C -6.2618 1.4077 -0.0024 C.ar 1 UNL111111111 -0.0654 24 C -7.3554 0.6722 0.4354 C.ar 1 UNL111111111 -0.3079 25 C -7.3140 -0.7340 0.3727 C.ar 1 UNL111111111 0.2752 26 N -8.4251 -1.4795 0.7513 N.pl3 1 UNL111111111 -0.6323 27 C -6.1691 -1.3855 -0.1289 C.ar 1 UNL111111111 -0.3033 28 C -5.0910 -0.6298 -0.5627 C.ar 1 UNL111111111 -0.0510 29 H 7.2093 2.4491 -0.0760 H 1 UNL111111111 0.1290 30 H 5.8052 3.5754 0.0312 H 1 UNL111111111 0.1530 31 H 6.2350 2.5481 1.4465 H 1 UNL111111111 0.1380 32 H 7.4428 0.4178 0.9103 H 1 UNL111111111 0.1614 33 H 7.4681 -2.0083 1.3944 H 1 UNL111111111 0.1457 34 H 5.4643 -3.3939 0.9269 H 1 UNL111111111 0.1521 35 H 3.4173 -2.3574 -0.0030 H 1 UNL111111111 0.1597 36 H 3.0068 1.3740 -0.2807 H 1 UNL111111111 0.1782 37 H 2.6387 1.1814 -2.6100 H 1 UNL111111111 0.1487 38 H 4.0393 0.1063 -2.5919 H 1 UNL111111111 0.1539 39 H 1.5265 -0.7481 -3.4558 H 1 UNL111111111 0.1455 40 H 2.6972 -1.8547 -2.7272 H 1 UNL111111111 0.1433 41 H 0.1516 -0.7525 -1.5346 H 1 UNL111111111 0.1696 42 H 1.0891 -2.2031 -1.0404 H 1 UNL111111111 0.1341 43 H -0.4481 -1.4922 0.6341 H 1 UNL111111111 0.1818 44 H -0.0587 -1.0433 2.3240 H 1 UNL111111111 0.1749 45 H -1.1311 1.1379 1.9262 H 1 UNL111111111 0.3199 46 H -3.1961 1.9840 0.9802 H 1 UNL111111111 0.2986 47 H -4.1960 2.6156 -1.1772 H 1 UNL111111111 0.1478 48 H -3.4984 1.1302 -1.8826 H 1 UNL111111111 0.1761 49 H -6.2964 2.4963 0.0435 H 1 UNL111111111 0.1453 50 H -8.2377 1.1762 0.8138 H 1 UNL111111111 0.1572 51 H -9.1509 -1.0408 1.2744 H 1 UNL111111111 0.2932 52 H -8.3272 -2.4622 0.8887 H 1 UNL111111111 0.2945 53 H -6.1354 -2.4683 -0.1831 H 1 UNL111111111 0.1600 54 H -4.1963 -1.1274 -0.9532 H 1 UNL111111111 0.1751 @BOND 1 1 2 1 2 1 29 1 3 1 30 1 4 1 31 1 5 2 3 1 6 3 8 ar 7 4 3 ar 8 4 5 ar 9 4 32 1 10 5 6 ar 11 5 33 1 12 6 7 ar 13 6 34 1 14 7 35 1 15 8 9 1 16 8 7 ar 17 9 10 1 18 9 13 1 19 9 36 1 20 10 11 1 21 10 37 1 22 10 38 1 23 11 12 1 24 11 39 1 25 11 40 1 26 12 41 1 27 12 42 1 28 13 14 am 29 13 12 1 30 14 15 2 31 16 17 1 32 16 14 1 33 16 43 1 34 16 44 1 35 17 45 1 36 18 17 am 37 18 20 am 38 19 18 2 39 20 21 1 40 20 46 1 41 21 22 1 42 21 47 1 43 21 48 1 44 22 23 ar 45 22 28 ar 46 23 24 ar 47 23 49 1 48 24 25 ar 49 24 50 1 50 25 26 1 51 26 51 1 52 26 52 1 53 27 25 ar 54 27 53 1 55 28 27 ar 56 28 54 1