@MOLECULE n'-{(1r,2s)-3-(3,5-difluorophenyl)-1-[(2r,4s)-4-ethoxy-2-piperidinyl]-1-hydroxy-2-propanyl}-5-methyl-n,n-dipropylisophthalamide 83 85 0 0 0 SMALL GASTEIGER @ATOM 1 F -0.8987 -4.2005 1.7510 F 1 UNL1111111111 -0.1680 2 F -2.1167 -3.3607 -2.6716 F 1 UNL1111111111 -0.1579 3 C -3.7223 2.1688 -1.7304 C.ar 1 UNL1111111111 -0.1387 4 C -3.7527 1.1351 -0.7975 C.ar 1 UNL1111111111 -0.0884 5 C -2.5767 0.6129 -0.2669 C.ar 1 UNL1111111111 -0.1055 6 C -1.3599 1.1722 -0.6543 C.ar 1 UNL1111111111 -0.1131 7 C -1.3123 2.2259 -1.5622 C.ar 1 UNL1111111111 -0.1593 8 C -2.4976 2.7218 -2.1123 C.ar 1 UNL1111111111 0.0460 9 C -5.0741 0.5768 -0.3839 C.2 1 UNL1111111111 0.5700 10 N -5.5246 0.8886 0.8807 N.am 1 UNL1111111111 -0.5076 11 O -5.7368 -0.1257 -1.1230 O.2 1 UNL1111111111 -0.5217 12 C -4.8340 1.8298 1.7651 C.3 1 UNL1111111111 -0.0641 13 C -6.8222 0.3698 1.3299 C.3 1 UNL1111111111 -0.0620 14 C -6.6194 -0.8474 2.2543 C.3 1 UNL1111111111 -0.2735 15 C -7.9699 -1.3729 2.7311 C.3 1 UNL1111111111 -0.4426 16 C -5.1449 3.2910 1.3819 C.3 1 UNL1111111111 -0.2832 17 C -4.2511 4.2405 2.1731 C.3 1 UNL1111111111 -0.4386 18 C -2.4449 3.8326 -3.1031 C.3 1 UNL1111111111 -0.4541 19 C -0.1286 0.6171 -0.0302 C.2 1 UNL1111111111 0.5864 20 O -0.0340 0.4014 1.1621 O.2 1 UNL1111111111 -0.5244 21 N 0.9095 0.3293 -0.8935 N.am 1 UNL1111111111 -0.6042 22 C 2.0843 -0.3965 -0.4110 C.3 1 UNL1111111111 0.0625 23 C 3.3331 0.4779 -0.6929 C.3 1 UNL1111111111 0.0924 24 O 3.4776 0.6985 -2.0758 O.3 1 UNL1111111111 -0.5470 25 C 2.1763 -1.7835 -1.0938 C.3 1 UNL1111111111 -0.3309 26 C 0.8932 -2.5260 -0.8833 C.ar 1 UNL1111111111 0.1168 27 C 0.6061 -3.0677 0.3724 C.ar 1 UNL1111111111 -0.2779 28 C -0.6254 -3.6909 0.5607 C.ar 1 UNL1111111111 0.2536 29 C -1.5873 -3.8050 -0.4424 C.ar 1 UNL1111111111 -0.3126 30 C -1.2446 -3.2675 -1.6817 C.ar 1 UNL1111111111 0.2551 31 C -0.0271 -2.6348 -1.9288 C.ar 1 UNL1111111111 -0.2986 32 C 4.6422 -0.1315 -0.1297 C.3 1 UNL1111111111 -0.0095 33 C 5.7463 0.9410 -0.1388 C.3 1 UNL1111111111 -0.3572 34 C 7.0384 0.3685 0.4662 C.3 1 UNL1111111111 0.1290 35 C 6.7831 -0.2315 1.8597 C.3 1 UNL1111111111 -0.3800 36 C 5.6309 -1.2468 1.7930 C.3 1 UNL1111111111 -0.0955 37 N 4.3933 -0.6778 1.2215 N.3 1 UNL1111111111 -0.5383 38 O 7.8684 1.5102 0.6012 O.3 1 UNL1111111111 -0.4250 39 C 9.2610 1.2268 0.6588 C.3 1 UNL1111111111 -0.0170 40 C 9.8985 2.5731 0.9840 C.3 1 UNL1111111111 -0.4528 41 H -4.6523 2.5389 -2.1624 H 1 UNL1111111111 0.1653 42 H -2.6010 -0.2114 0.4502 H 1 UNL1111111111 0.1803 43 H -0.3582 2.6717 -1.8402 H 1 UNL1111111111 0.1601 44 H -5.1366 1.6372 2.8187 H 1 UNL1111111111 0.1431 45 H -3.7338 1.6498 1.7262 H 1 UNL1111111111 0.1557 46 H -7.3867 1.1719 1.8511 H 1 UNL1111111111 0.1291 47 H -7.4320 0.0707 0.4421 H 1 UNL1111111111 0.1669 48 H -6.0685 -1.6386 1.7069 H 1 UNL1111111111 0.1565 49 H -5.9818 -0.5767 3.1153 H 1 UNL1111111111 0.1376 50 H -7.8468 -2.2443 3.3850 H 1 UNL1111111111 0.1449 51 H -8.5249 -0.6158 3.2954 H 1 UNL1111111111 0.1398 52 H -8.5981 -1.6867 1.8882 H 1 UNL1111111111 0.1481 53 H -4.9887 3.4385 0.2958 H 1 UNL1111111111 0.1460 54 H -6.2117 3.5140 1.5640 H 1 UNL1111111111 0.1401 55 H -4.4684 5.2863 1.9280 H 1 UNL1111111111 0.1431 56 H -4.3884 4.1229 3.2537 H 1 UNL1111111111 0.1439 57 H -3.1892 4.0705 1.9537 H 1 UNL1111111111 0.1506 58 H -1.8174 4.6647 -2.7522 H 1 UNL1111111111 0.1590 59 H -2.0219 3.4892 -4.0602 H 1 UNL1111111111 0.1639 60 H -3.4351 4.2528 -3.3261 H 1 UNL1111111111 0.1571 61 H 0.8517 0.4981 -1.8845 H 1 UNL1111111111 0.3209 62 H 1.9890 -0.5529 0.7054 H 1 UNL1111111111 0.1979 63 H 3.1642 1.5135 -0.3102 H 1 UNL1111111111 0.1616 64 H 3.7254 -0.1199 -2.5490 H 1 UNL1111111111 0.3108 65 H 2.4069 -1.6795 -2.1702 H 1 UNL1111111111 0.1467 66 H 3.0274 -2.3431 -0.6461 H 1 UNL1111111111 0.1765 67 H 1.3226 -2.9796 1.1890 H 1 UNL1111111111 0.1887 68 H -2.5506 -4.2810 -0.2682 H 1 UNL1111111111 0.1990 69 H 0.1953 -2.2233 -2.9098 H 1 UNL1111111111 0.1761 70 H 4.9570 -0.9880 -0.7816 H 1 UNL1111111111 0.1418 71 H 5.9301 1.3044 -1.1675 H 1 UNL1111111111 0.1674 72 H 5.4415 1.8398 0.4312 H 1 UNL1111111111 0.1647 73 H 7.5047 -0.3746 -0.2135 H 1 UNL1111111111 0.1111 74 H 7.6974 -0.7068 2.2511 H 1 UNL1111111111 0.1443 75 H 6.5481 0.5848 2.5692 H 1 UNL1111111111 0.1623 76 H 5.9251 -2.1281 1.1820 H 1 UNL1111111111 0.1398 77 H 5.3916 -1.6339 2.8076 H 1 UNL1111111111 0.1442 78 H 4.0110 0.0416 1.8385 H 1 UNL1111111111 0.2632 79 H 9.4652 0.4745 1.4390 H 1 UNL1111111111 0.1104 80 H 9.5852 0.8397 -0.3231 H 1 UNL1111111111 0.1134 81 H 10.9907 2.5122 0.9669 H 1 UNL1111111111 0.1476 82 H 9.5850 3.3386 0.2602 H 1 UNL1111111111 0.1614 83 H 9.5866 2.9285 1.9743 H 1 UNL1111111111 0.1567 @BOND 1 1 28 1 2 2 30 1 3 3 4 ar 4 3 8 ar 5 3 41 1 6 4 9 1 7 4 5 ar 8 5 6 ar 9 5 42 1 10 6 19 1 11 6 7 ar 12 7 8 ar 13 7 43 1 14 8 18 1 15 9 10 am 16 9 11 2 17 10 13 1 18 10 12 1 19 12 16 1 20 12 44 1 21 12 45 1 22 13 14 1 23 13 46 1 24 13 47 1 25 14 15 1 26 14 48 1 27 14 49 1 28 15 50 1 29 15 51 1 30 15 52 1 31 16 17 1 32 16 53 1 33 16 54 1 34 17 55 1 35 17 56 1 36 17 57 1 37 18 58 1 38 18 59 1 39 18 60 1 40 19 20 2 41 19 21 am 42 21 22 1 43 21 61 1 44 22 25 1 45 22 23 1 46 22 62 1 47 23 24 1 48 23 32 1 49 23 63 1 50 24 64 1 51 25 26 1 52 25 65 1 53 25 66 1 54 26 31 ar 55 26 27 ar 56 27 28 ar 57 27 67 1 58 28 29 ar 59 29 30 ar 60 29 68 1 61 30 31 ar 62 31 69 1 63 32 33 1 64 32 37 1 65 32 70 1 66 33 34 1 67 33 71 1 68 33 72 1 69 34 38 1 70 34 35 1 71 34 73 1 72 35 36 1 73 35 74 1 74 35 75 1 75 36 37 1 76 36 76 1 77 36 77 1 78 37 78 1 79 38 39 1 80 39 40 1 81 39 79 1 82 39 80 1 83 40 81 1 84 40 82 1 85 40 83 1