@MOLECULE 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl 4-azidobenzoate 63 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 2.9777 -6.5874 -0.4372 Cl 1 UNL1 -0.0917 2 F -9.9718 -0.1984 1.4387 F 1 UNL1 -0.1708 3 O 2.0112 -0.1060 -0.2087 O.3 1 UNL1 -0.4656 4 O 2.9824 -0.7902 1.7111 O.2 1 UNL1 -0.4926 5 O -5.3426 1.9654 -2.1484 O.2 1 UNL1 -0.4525 6 N -1.1492 1.0838 -0.0312 N.3 1 UNL1 -0.4314 7 N 6.6792 4.0314 -0.4310 N.2 1 UNL1 -0.4292 8 N 7.7320 4.3015 0.1881 N.2 1 UNL1 0.4313 9 N 8.7095 4.7288 0.5717 N.2 1 UNL1 -0.1579 10 C 0.8917 -0.9979 -0.0664 C.3 1 UNL1 0.3010 11 C 0.1095 -0.6371 1.1995 C.3 1 UNL1 -0.3382 12 C 0.0453 -0.6684 -1.3116 C.3 1 UNL1 -0.3097 13 C -0.2922 0.8472 1.1579 C.3 1 UNL1 -0.1010 14 C -0.4043 0.8016 -1.2836 C.3 1 UNL1 -0.0997 15 C 1.3946 -2.4187 -0.1338 C.ar 1 UNL1 -0.0699 16 C -1.6722 2.4748 -0.0367 C.3 1 UNL1 -0.1238 17 C -2.9871 2.5257 -0.8387 C.3 1 UNL1 -0.2498 18 C 0.7973 -3.4454 0.5968 C.ar 1 UNL1 -0.1229 19 C 2.4778 -2.6974 -0.9746 C.ar 1 UNL1 -0.1183 20 C -4.0471 1.6374 -0.1831 C.3 1 UNL1 -0.3746 21 C 2.9683 -0.0628 0.7513 C.2 1 UNL1 0.6166 22 C 1.2836 -4.7493 0.5041 C.ar 1 UNL1 -0.1694 23 C 2.9784 -3.9925 -1.0745 C.ar 1 UNL1 -0.1705 24 C 2.3676 -4.9913 -0.3272 C.ar 1 UNL1 0.0321 25 C -5.3055 1.5888 -1.0012 C.2 1 UNL1 0.4745 26 C 3.9465 0.9937 0.4363 C.ar 1 UNL1 -0.1888 27 C -6.5343 1.0762 -0.3371 C.ar 1 UNL1 -0.1951 28 C 5.0545 1.1302 1.2741 C.ar 1 UNL1 -0.0125 29 C 3.7706 1.8476 -0.6580 C.ar 1 UNL1 -0.0339 30 C -6.4711 0.1773 0.7291 C.ar 1 UNL1 -0.0672 31 C -7.7698 1.5206 -0.8170 C.ar 1 UNL1 -0.0434 32 C 5.9952 2.1253 1.0278 C.ar 1 UNL1 -0.2912 33 C 4.6977 2.8456 -0.9156 C.ar 1 UNL1 -0.2115 34 C 5.8127 2.9817 -0.0667 C.ar 1 UNL1 0.2322 35 C -7.6393 -0.2687 1.3403 C.ar 1 UNL1 -0.2461 36 C -8.9522 1.0940 -0.2194 C.ar 1 UNL1 -0.2453 37 C -8.8565 0.2091 0.8540 C.ar 1 UNL1 0.2337 38 H 0.7051 -0.8483 2.1095 H 1 UNL1 0.1757 39 H -0.8042 -1.2601 1.2679 H 1 UNL1 0.1624 40 H 0.6190 -0.8671 -2.2356 H 1 UNL1 0.1551 41 H -0.8375 -1.3373 -1.3336 H 1 UNL1 0.1656 42 H -0.8814 1.0938 2.0678 H 1 UNL1 0.1355 43 H 0.6149 1.4887 1.1703 H 1 UNL1 0.1215 44 H 0.4781 1.4659 -1.4134 H 1 UNL1 0.1207 45 H -1.0894 0.9918 -2.1401 H 1 UNL1 0.1422 46 H -0.9461 3.2048 -0.4528 H 1 UNL1 0.1166 47 H -1.8731 2.7964 1.0084 H 1 UNL1 0.1354 48 H -3.3459 3.5698 -0.9057 H 1 UNL1 0.1425 49 H -2.8223 2.2012 -1.8859 H 1 UNL1 0.1582 50 H -0.0486 -3.2412 1.2519 H 1 UNL1 0.1589 51 H 2.9393 -1.8938 -1.5518 H 1 UNL1 0.1674 52 H -3.6306 0.6066 -0.0733 H 1 UNL1 0.1968 53 H -4.2573 1.9840 0.8469 H 1 UNL1 0.1623 54 H 0.8216 -5.5508 1.0796 H 1 UNL1 0.1719 55 H 3.8289 -4.2078 -1.7203 H 1 UNL1 0.1724 56 H 5.1776 0.4515 2.1262 H 1 UNL1 0.1804 57 H 2.9018 1.7288 -1.3120 H 1 UNL1 0.1723 58 H -5.5071 -0.1867 1.0888 H 1 UNL1 0.1599 59 H -7.8008 2.2053 -1.6707 H 1 UNL1 0.1756 60 H 6.8548 2.2272 1.6834 H 1 UNL1 0.1654 61 H 4.5754 3.5218 -1.7624 H 1 UNL1 0.1829 62 H -7.6011 -0.9688 2.1724 H 1 UNL1 0.1762 63 H -9.9182 1.4395 -0.5835 H 1 UNL1 0.1794 @BOND 1 40 12 1 2 5 25 2 3 45 14 1 4 49 17 1 5 61 33 1 6 55 23 1 7 59 31 1 8 51 19 1 9 44 14 1 10 41 12 1 11 57 29 1 12 12 14 1 13 12 10 1 14 14 6 1 15 23 19 ar 16 23 24 ar 17 25 27 1 18 25 20 1 19 19 15 ar 20 33 29 ar 21 33 34 ar 22 48 17 1 23 17 20 1 24 17 16 1 25 31 27 ar 26 31 36 ar 27 29 26 ar 28 63 36 1 29 46 16 1 30 1 24 1 31 7 34 1 32 7 8 2 33 27 30 ar 34 24 22 ar 35 36 37 ar 36 3 10 1 37 3 21 1 38 20 52 1 39 20 53 1 40 15 10 1 41 15 18 ar 42 34 32 ar 43 10 11 1 44 16 6 1 45 16 47 1 46 6 13 1 47 8 9 2 48 26 21 1 49 26 28 ar 50 22 18 ar 51 22 54 1 52 18 50 1 53 30 58 1 54 30 35 ar 55 21 4 2 56 37 35 ar 57 37 2 1 58 32 28 ar 59 32 60 1 60 13 43 1 61 13 11 1 62 13 42 1 63 11 39 1 64 11 38 1 65 28 56 1 66 35 62 1