@MOLECULE n'-{(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-phenoxy-2-pyrrolidinyl]-2-propanyl}-5-methyl-n,n-dipropylisophthalamide 84 87 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.6216 2.8686 1.1975 C.ar 1 UNL1111111111 -0.1358 2 C -0.6351 2.7015 2.1741 C.ar 1 UNL1111111111 0.0381 3 C 0.2620 1.6362 2.0752 C.ar 1 UNL1111111111 -0.1094 4 C 0.1761 0.7500 1.0016 C.ar 1 UNL1111111111 -0.1101 5 C -0.8087 0.9058 0.0295 C.ar 1 UNL1111111111 -0.1318 6 C -1.7074 1.9637 0.1439 C.ar 1 UNL1111111111 -0.0940 7 C -2.7523 2.1484 -0.9054 C.2 1 UNL1111111111 0.5730 8 N -3.7937 1.2496 -0.9380 N.am 1 UNL1111111111 -0.5057 9 O -2.6839 3.0497 -1.7215 O.2 1 UNL1111111111 -0.5390 10 C -4.7969 1.3430 -2.0049 C.3 1 UNL1111111111 -0.0625 11 C -4.5123 0.2950 -3.1003 C.3 1 UNL1111111111 -0.2771 12 C -5.5659 0.3848 -4.2000 C.3 1 UNL1111111111 -0.4402 13 C -3.9889 0.2188 0.0848 C.3 1 UNL1111111111 -0.0650 14 C -4.5592 0.8164 1.3867 C.3 1 UNL1111111111 -0.2791 15 C -4.4391 -0.1966 2.5211 C.3 1 UNL1111111111 -0.4378 16 C -0.5531 3.6573 3.3132 C.3 1 UNL1111111111 -0.4526 17 C 1.1122 -0.4073 0.9796 C.2 1 UNL1111111111 0.5853 18 N 1.4418 -0.9189 -0.2598 N.am 1 UNL1111111111 -0.5962 19 O 1.5388 -0.9069 2.0039 O.2 1 UNL1111111111 -0.5352 20 C 2.1540 -2.1932 -0.3711 C.3 1 UNL1111111111 0.0654 21 C 3.2517 -2.0723 -1.4713 C.3 1 UNL1111111111 0.1104 22 C 1.1485 -3.3124 -0.7631 C.3 1 UNL1111111111 -0.3343 23 O 3.2648 -3.2299 -2.2789 O.3 1 UNL1111111111 -0.5689 24 C -0.1466 -3.2270 -0.0166 C.ar 1 UNL1111111111 0.1229 25 C -0.1661 -3.1776 1.3797 C.ar 1 UNL1111111111 -0.2711 26 C -1.3945 -3.0919 2.0301 C.ar 1 UNL1111111111 0.2534 27 C -2.6168 -3.0766 1.3579 C.ar 1 UNL1111111111 -0.3273 28 C -2.5469 -3.1453 -0.0311 C.ar 1 UNL1111111111 0.2442 29 C -1.3471 -3.2090 -0.7349 C.ar 1 UNL1111111111 -0.2996 30 F -1.4103 -3.0242 3.3513 F 1 UNL1111111111 -0.1634 31 F -3.6804 -3.1484 -0.7169 F 1 UNL1111111111 -0.1756 32 C 4.9528 0.5520 -0.6806 C.3 1 UNL1111111111 0.0948 33 C 4.6544 -0.1304 0.6790 C.3 1 UNL1111111111 -0.1647 34 N 4.7552 -1.6000 0.4854 N.3 1 UNL1111111111 -0.5291 35 C 5.3245 -0.5913 -1.6396 C.3 1 UNL1111111111 -0.3431 36 C 4.7119 -1.8476 -0.9736 C.3 1 UNL1111111111 0.0015 37 O 3.7607 1.0688 -1.2683 O.3 1 UNL1111111111 -0.3712 38 C 3.1891 2.1803 -0.7378 C.ar 1 UNL1111111111 0.2626 39 C 3.6764 2.9023 0.3490 C.ar 1 UNL1111111111 -0.3134 40 C 2.9661 4.0285 0.7675 C.ar 1 UNL1111111111 -0.0689 41 C 1.7981 4.4139 0.1172 C.ar 1 UNL1111111111 -0.2282 42 C 1.3240 3.6723 -0.9696 C.ar 1 UNL1111111111 -0.0565 43 C 2.0136 2.5525 -1.4105 C.ar 1 UNL1111111111 -0.2595 44 H -2.3168 3.7062 1.2576 H 1 UNL1111111111 0.1635 45 H 1.0294 1.4830 2.8375 H 1 UNL1111111111 0.1748 46 H -0.8971 0.2077 -0.8028 H 1 UNL1111111111 0.1637 47 H -5.8119 1.2002 -1.5768 H 1 UNL1111111111 0.1323 48 H -4.7751 2.3687 -2.4482 H 1 UNL1111111111 0.1673 49 H -3.5011 0.4650 -3.5199 H 1 UNL1111111111 0.1508 50 H -4.4929 -0.7211 -2.6671 H 1 UNL1111111111 0.1412 51 H -6.5700 0.1661 -3.8196 H 1 UNL1111111111 0.1419 52 H -5.5922 1.3841 -4.6519 H 1 UNL1111111111 0.1472 53 H -5.3580 -0.3301 -5.0041 H 1 UNL1111111111 0.1443 54 H -4.6775 -0.5639 -0.3047 H 1 UNL1111111111 0.1473 55 H -3.0220 -0.2962 0.2919 H 1 UNL1111111111 0.1489 56 H -4.0167 1.7450 1.6496 H 1 UNL1111111111 0.1467 57 H -5.6121 1.1167 1.2389 H 1 UNL1111111111 0.1395 58 H -4.8284 0.2128 3.4606 H 1 UNL1111111111 0.1448 59 H -5.0006 -1.1129 2.3072 H 1 UNL1111111111 0.1420 60 H -3.3930 -0.4774 2.7029 H 1 UNL1111111111 0.1537 61 H 0.2322 3.3944 4.0345 H 1 UNL1111111111 0.1568 62 H -0.3371 4.6782 2.9628 H 1 UNL1111111111 0.1615 63 H -1.4991 3.6978 3.8731 H 1 UNL1111111111 0.1598 64 H 1.1560 -0.4651 -1.1120 H 1 UNL1111111111 0.3173 65 H 2.6230 -2.4374 0.6270 H 1 UNL1111111111 0.2058 66 H 2.9667 -1.2866 -2.2138 H 1 UNL1111111111 0.1584 67 H 0.9718 -3.2790 -1.8614 H 1 UNL1111111111 0.1749 68 H 1.6152 -4.3008 -0.5744 H 1 UNL1111111111 0.1584 69 H 3.5201 -4.0249 -1.7726 H 1 UNL1111111111 0.3167 70 H 0.7683 -3.1700 1.9491 H 1 UNL1111111111 0.2061 71 H -3.5644 -3.0213 1.8881 H 1 UNL1111111111 0.1923 72 H -1.3429 -3.2511 -1.8219 H 1 UNL1111111111 0.1800 73 H 5.7104 1.3528 -0.6254 H 1 UNL1111111111 0.1292 74 H 5.3218 0.2204 1.4832 H 1 UNL1111111111 0.1341 75 H 3.6104 0.0904 1.0088 H 1 UNL1111111111 0.1888 76 H 5.6071 -1.9684 0.8997 H 1 UNL1111111111 0.2537 77 H 4.9318 -0.4131 -2.6573 H 1 UNL1111111111 0.1767 78 H 6.4171 -0.6823 -1.7465 H 1 UNL1111111111 0.1500 79 H 5.3074 -2.7583 -1.2241 H 1 UNL1111111111 0.1379 80 H 4.5810 2.6109 0.8662 H 1 UNL1111111111 0.1568 81 H 3.3351 4.6060 1.6139 H 1 UNL1111111111 0.1429 82 H 1.2486 5.2891 0.4512 H 1 UNL1111111111 0.1513 83 H 0.3999 3.9732 -1.4699 H 1 UNL1111111111 0.1664 84 H 1.6675 1.9736 -2.2611 H 1 UNL1111111111 0.1688 @BOND 1 1 6 ar 2 1 2 ar 3 1 44 1 4 2 3 ar 5 2 16 1 6 3 4 ar 7 3 45 1 8 4 5 ar 9 4 17 1 10 5 6 ar 11 5 46 1 12 6 7 1 13 7 8 am 14 7 9 2 15 8 10 1 16 8 13 1 17 10 11 1 18 10 47 1 19 10 48 1 20 11 12 1 21 11 49 1 22 11 50 1 23 12 51 1 24 12 52 1 25 12 53 1 26 13 14 1 27 13 54 1 28 13 55 1 29 14 15 1 30 14 56 1 31 14 57 1 32 15 58 1 33 15 59 1 34 15 60 1 35 16 61 1 36 16 62 1 37 16 63 1 38 17 19 2 39 17 18 am 40 18 20 1 41 18 64 1 42 20 22 1 43 20 21 1 44 20 65 1 45 21 23 1 46 21 36 1 47 21 66 1 48 22 24 1 49 22 67 1 50 22 68 1 51 23 69 1 52 24 29 ar 53 24 25 ar 54 25 26 ar 55 25 70 1 56 26 27 ar 57 26 30 1 58 27 28 ar 59 27 71 1 60 28 31 1 61 28 29 ar 62 29 72 1 63 32 35 1 64 32 37 1 65 32 33 1 66 32 73 1 67 33 34 1 68 33 74 1 69 33 75 1 70 34 36 1 71 34 76 1 72 35 36 1 73 35 77 1 74 35 78 1 75 36 79 1 76 37 38 1 77 38 43 ar 78 38 39 ar 79 39 40 ar 80 39 80 1 81 40 41 ar 82 40 81 1 83 41 42 ar 84 41 82 1 85 42 43 ar 86 42 83 1 87 43 84 1