@MOLECULE 1-{(2r,3s)-4-[(3s)-3-(4-fluorobenzyl)-1-piperidinyl]-3-hydroxy-2-butanyl}-3-[3-(1-methyl-1h-tetrazol-5-yl)phenyl]urea 67 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.2008 0.7425 0.3690 C.3 1 UNL1 -0.0972 2 C 0.9136 0.9398 -0.4375 C.3 1 UNL1 0.1238 3 C -0.6086 1.2471 -0.4811 C.3 1 UNL1 0.0872 4 C -5.5034 -0.7524 0.0898 C.ar 1 UNL1 -0.1964 5 C -7.3211 -2.3162 -0.3256 C.ar 1 UNL1 -0.2020 6 C -5.0996 -2.8135 -1.1371 C.ar 1 UNL1 -0.2453 7 C -6.4370 -3.1614 -0.9915 C.ar 1 UNL1 -0.0831 8 C 8.3546 -0.1505 1.4399 C.ar 1 UNL1 -0.1376 9 C 7.0348 -1.8418 0.3149 C.ar 1 UNL1 -0.1333 10 C 9.5287 -0.7579 1.0017 C.ar 1 UNL1 -0.2104 11 C 8.1937 -2.4672 -0.1347 C.ar 1 UNL1 -0.2100 12 C 1.7400 2.2100 -0.1222 C.3 1 UNL1 -0.1914 13 C 5.8498 -0.0110 1.5449 C.3 1 UNL1 -0.3093 14 C -9.2600 0.4746 -1.0877 C.3 1 UNL1 -0.2313 15 C -0.9671 2.2002 -1.6250 C.3 1 UNL1 -0.4830 16 H 2.1960 0.5829 -1.8939 H 1 UNL1 0.3563 17 H -2.6906 -2.0451 -1.1882 H 1 UNL1 0.3135 18 H -0.8538 -0.6459 -1.3630 H 1 UNL1 0.3167 19 C -7.7561 -0.2209 0.8959 C.ar 1 UNL1 0.1446 20 C -6.8419 -1.1173 0.2065 C.ar 1 UNL1 0.0168 21 C -4.6244 -1.6003 -0.5999 C.ar 1 UNL1 0.2537 22 C 7.1100 -0.6842 1.0962 C.ar 1 UNL1 -0.0075 23 C 9.4197 -1.9054 0.2188 C.ar 1 UNL1 0.1843 24 O -3.2533 0.8258 0.0959 O.2 1 UNL1 -0.5248 25 C 3.7939 1.2310 0.7804 C.3 1 UNL1 -0.1288 26 C 3.9248 3.0840 -0.8096 C.3 1 UNL1 -0.1077 27 C 6.0515 1.9458 -0.0637 C.3 1 UNL1 -0.2804 28 C 5.3493 2.6654 -1.2186 C.3 1 UNL1 -0.2754 29 O 1.2357 0.4270 -1.7137 O.3 1 UNL1 -0.5859 30 C -2.6538 -0.0910 -0.4237 C.2 1 UNL1 0.7141 31 N -3.2657 -1.3018 -0.8081 N.am 1 UNL1 -0.5912 32 N -1.2736 -0.0658 -0.6431 N.am 1 UNL1 -0.6071 33 F 10.5305 -2.4888 -0.2077 F 1 UNL1 -0.1744 34 N -7.7725 0.1448 2.2049 N.ar 1 UNL1 -0.2361 35 N -9.4325 1.2092 1.2590 N.ar 1 UNL1 -0.0989 36 N -8.7955 1.0009 2.3712 N.ar 1 UNL1 -0.0282 37 N 3.1601 1.8823 -0.3916 N.3 1 UNL1 -0.4398 38 N -8.8220 0.4606 0.2952 N.ar 1 UNL1 -0.1790 39 H -5.1550 0.1820 0.5469 H 1 UNL1 0.2194 40 H -8.3642 -2.5971 -0.2033 H 1 UNL1 0.1620 41 H -4.4247 -3.4822 -1.6653 H 1 UNL1 0.1567 42 H -6.7974 -4.1055 -1.4009 H 1 UNL1 0.1538 43 H 5.0931 0.0474 -0.5000 H 1 UNL1 0.1537 44 H 1.1308 0.1276 0.2943 H 1 UNL1 0.1324 45 H -0.9366 1.6847 0.5008 H 1 UNL1 0.1639 46 H 3.1683 0.3621 1.0788 H 1 UNL1 0.1390 47 H 3.8625 1.9048 1.6599 H 1 UNL1 0.1193 48 H 1.4171 3.0346 -0.7947 H 1 UNL1 0.1549 49 H 1.5468 2.5495 0.9148 H 1 UNL1 0.1324 50 H -9.1996 1.5008 -1.5054 H 1 UNL1 0.1763 51 H -8.6245 -0.1942 -1.6996 H 1 UNL1 0.1711 52 H -10.3136 0.1391 -1.1670 H 1 UNL1 0.1724 53 H 6.0418 0.6868 2.3836 H 1 UNL1 0.1509 54 H 5.1406 -0.7626 1.9506 H 1 UNL1 0.1546 55 H 3.9689 3.8570 -0.0137 H 1 UNL1 0.1163 56 H 3.4087 3.5387 -1.6838 H 1 UNL1 0.1369 57 H 6.2112 2.6358 0.7836 H 1 UNL1 0.1367 58 H 7.0583 1.6084 -0.3760 H 1 UNL1 0.1480 59 H 5.3007 1.9992 -2.1025 H 1 UNL1 0.1516 60 H 5.9257 3.5542 -1.5311 H 1 UNL1 0.1383 61 H 8.4111 0.7484 2.0525 H 1 UNL1 0.1567 62 H 6.0614 -2.2556 0.0524 H 1 UNL1 0.1593 63 H -2.0573 2.2883 -1.7348 H 1 UNL1 0.1681 64 H -0.5841 3.2096 -1.4478 H 1 UNL1 0.1486 65 H -0.5546 1.8508 -2.5808 H 1 UNL1 0.1665 66 H 10.5005 -0.3450 1.2650 H 1 UNL1 0.1723 67 H 8.1410 -3.3673 -0.7439 H 1 UNL1 0.1724 @BOND 1 65 15 1 2 59 28 1 3 16 29 1 4 63 15 1 5 29 2 1 6 51 14 1 7 56 26 1 8 41 6 1 9 15 64 1 10 15 3 1 11 60 28 1 12 50 14 1 13 42 7 1 14 18 32 1 15 28 26 1 16 28 27 1 17 17 31 1 18 52 14 1 19 6 7 ar 20 6 21 ar 21 14 38 1 22 7 5 ar 23 26 37 1 24 26 55 1 25 31 21 1 26 31 30 am 27 48 12 1 28 67 11 1 29 32 3 1 30 32 30 am 31 21 4 ar 32 43 1 1 33 3 2 1 34 3 45 1 35 2 12 1 36 2 44 1 37 30 24 2 38 37 12 1 39 37 25 1 40 58 27 1 41 5 40 1 42 5 20 ar 43 33 23 1 44 11 23 ar 45 11 9 ar 46 12 49 1 47 27 1 1 48 27 57 1 49 62 9 1 50 4 20 ar 51 4 39 1 52 20 19 1 53 23 10 ar 54 38 19 ar 55 38 35 ar 56 9 22 ar 57 1 25 1 58 1 13 1 59 25 46 1 60 25 47 1 61 19 34 ar 62 10 66 1 63 10 8 ar 64 22 8 ar 65 22 13 1 66 35 36 ar 67 8 61 1 68 13 54 1 69 13 53 1 70 34 36 ar