@MOLECULE 4-({[(3r,5r,6s)-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-1-{(1s)-1-cyclopropyl-2-[(2-methyl-2-propanyl)sulfonyl]ethyl}-3-methyl-2-oxo-3-piperidinyl]acetyl}amino)-2-methoxybenzoic acid 91 95 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.3780 1.5547 -2.2136 C.3 1 UNL111111111 -0.2197 2 O 6.1806 0.7020 -1.4042 O.3 1 UNL111111111 -0.2475 3 C 5.6321 0.2123 -0.2752 C.ar 1 UNL111111111 0.3509 4 C 4.3239 0.4475 0.1451 C.ar 1 UNL111111111 -0.4507 5 C 6.5123 -0.5860 0.4871 C.ar 1 UNL111111111 -0.3147 6 C 7.8632 -0.8559 0.0149 C.2 1 UNL111111111 0.6717 7 O 8.6121 -1.4617 0.9907 O.3 1 UNL111111111 -0.5792 8 O 8.3727 -0.6400 -1.0550 O.2 1 UNL111111111 -0.5040 9 C 6.0520 -1.1140 1.6990 C.ar 1 UNL111111111 0.0482 10 C 4.7583 -0.8861 2.1413 C.ar 1 UNL111111111 -0.3256 11 C 3.8847 -0.1156 1.3567 C.ar 1 UNL111111111 0.3582 12 N 2.5454 0.1346 1.7089 N.am 1 UNL111111111 -0.5734 13 C 1.9406 -0.2380 2.9165 C.2 1 UNL111111111 0.6012 14 O 2.5598 -0.6776 3.8532 O.2 1 UNL111111111 -0.4799 15 C 0.4457 0.0255 2.9747 C.3 1 UNL111111111 -0.3917 16 C -0.3671 -1.0847 2.2851 C.3 1 UNL111111111 0.0276 17 C -1.8736 -0.8102 2.3658 C.3 1 UNL111111111 -0.2922 18 C -0.0613 -2.4332 2.9419 C.3 1 UNL111111111 -0.4575 19 C 0.0319 -1.1673 0.8085 C.2 1 UNL111111111 0.5537 20 O 0.9175 -1.9271 0.4508 O.2 1 UNL111111111 -0.5764 21 N -0.5461 -0.3201 -0.1100 N.am 1 UNL111111111 -0.5095 22 C -0.2322 -0.4809 -1.5528 C.3 1 UNL111111111 0.1593 23 C 1.2033 -0.0232 -1.8032 C.3 1 UNL111111111 -0.1933 24 C 1.5912 0.3864 -3.2076 C.3 1 UNL111111111 -0.3109 25 C 1.4715 1.4303 -2.1275 C.3 1 UNL111111111 -0.3292 26 C -0.3666 -1.9287 -2.0637 C.3 1 UNL111111111 -0.6484 27 S -2.0366 -2.5888 -2.1141 S.O2 1 UNL111111111 2.1664 28 O -2.8718 -1.7862 -1.2279 O.2 1 UNL111111111 -0.9633 29 O -2.3854 -2.6909 -3.5167 O.2 1 UNL111111111 -0.9029 30 C -1.9907 -4.2782 -1.4166 C.3 1 UNL111111111 -0.1592 31 C -1.0319 -5.1478 -2.2287 C.3 1 UNL111111111 -0.4652 32 C -1.5463 -4.2314 0.0443 C.3 1 UNL111111111 -0.4690 33 C -3.4087 -4.8481 -1.5008 C.3 1 UNL111111111 -0.4542 34 C -1.7590 0.4773 0.1549 C.3 1 UNL111111111 0.0572 35 C -1.5284 1.9151 -0.2683 C.ar 1 UNL111111111 -0.0099 36 C -0.4376 2.6402 0.2130 C.ar 1 UNL111111111 -0.2127 37 C -0.2951 3.9651 -0.1891 C.ar 1 UNL111111111 0.1698 38 F 0.7316 4.6695 0.2531 F 1 UNL111111111 -0.1384 39 C -1.2115 4.5624 -1.0519 C.ar 1 UNL111111111 -0.0751 40 CL -0.9901 6.1775 -1.5212 Cl 1 UNL111111111 -0.0304 41 C -2.2969 3.8384 -1.5280 C.ar 1 UNL111111111 -0.1172 42 C -2.4498 2.5107 -1.1332 C.ar 1 UNL111111111 -0.1748 43 C -2.2373 0.4839 1.6336 C.3 1 UNL111111111 -0.1375 44 C -3.7323 0.6711 1.6540 C.ar 1 UNL111111111 -0.0050 45 C -4.5700 -0.2600 1.0337 C.ar 1 UNL111111111 -0.1863 46 C -5.9383 -0.0464 1.0768 C.ar 1 UNL111111111 0.0306 47 CL -6.9639 -1.1900 0.3223 Cl 1 UNL111111111 -0.0867 48 C -6.5113 1.0544 1.7011 C.ar 1 UNL111111111 -0.1819 49 C -5.6630 1.9766 2.3107 C.ar 1 UNL111111111 -0.1194 50 C -4.2817 1.7851 2.2908 C.ar 1 UNL111111111 -0.1798 51 H 4.5176 1.0148 -2.6189 H 1 UNL111111111 0.1342 52 H 5.0756 2.4521 -1.6658 H 1 UNL111111111 0.1392 53 H 6.0793 1.8170 -3.0202 H 1 UNL111111111 0.1635 54 H 3.6534 1.0604 -0.4441 H 1 UNL111111111 0.1730 55 H 9.5323 -1.6589 0.6967 H 1 UNL111111111 0.3521 56 H 6.7300 -1.7260 2.3069 H 1 UNL111111111 0.1757 57 H 4.4283 -1.3147 3.0881 H 1 UNL111111111 0.2023 58 H 1.9284 0.4106 0.9431 H 1 UNL111111111 0.3190 59 H 0.1492 0.0813 4.0480 H 1 UNL111111111 0.1943 60 H 0.2065 1.0226 2.5561 H 1 UNL111111111 0.1696 61 H -2.4334 -1.6654 1.9294 H 1 UNL111111111 0.1672 62 H -2.2036 -0.7553 3.4211 H 1 UNL111111111 0.1580 63 H -0.2497 -2.4101 4.0212 H 1 UNL111111111 0.1580 64 H -0.6566 -3.2454 2.5113 H 1 UNL111111111 0.1520 65 H 0.9961 -2.7156 2.8053 H 1 UNL111111111 0.1813 66 H -0.9368 0.1836 -2.1313 H 1 UNL111111111 0.1545 67 H 1.9363 -0.5805 -1.2029 H 1 UNL111111111 0.1849 68 H 2.5686 0.1098 -3.5943 H 1 UNL111111111 0.1597 69 H 0.8569 0.3565 -4.0087 H 1 UNL111111111 0.1604 70 H 0.6483 2.1407 -2.1570 H 1 UNL111111111 0.1623 71 H 2.3580 1.9237 -1.7414 H 1 UNL111111111 0.1560 72 H 0.0534 -1.9682 -3.0942 H 1 UNL111111111 0.1988 73 H 0.3094 -2.5898 -1.4760 H 1 UNL111111111 0.2148 74 H 0.0167 -4.8421 -2.1314 H 1 UNL111111111 0.1495 75 H -1.0762 -6.1931 -1.8910 H 1 UNL111111111 0.1574 76 H -1.2832 -5.1626 -3.3004 H 1 UNL111111111 0.1675 77 H -2.2076 -3.6043 0.6592 H 1 UNL111111111 0.1584 78 H -1.5671 -5.2360 0.4889 H 1 UNL111111111 0.1554 79 H -0.5165 -3.8656 0.1737 H 1 UNL111111111 0.1657 80 H -3.7719 -4.9180 -2.5370 H 1 UNL111111111 0.1629 81 H -3.4519 -5.8624 -1.0849 H 1 UNL111111111 0.1490 82 H -4.1387 -4.2454 -0.9394 H 1 UNL111111111 0.1652 83 H -2.5966 0.0287 -0.4772 H 1 UNL111111111 0.2197 84 H 0.2922 2.1768 0.8745 H 1 UNL111111111 0.1764 85 H -3.0228 4.2979 -2.2026 H 1 UNL111111111 0.1793 86 H -3.3032 1.9355 -1.5017 H 1 UNL111111111 0.1788 87 H -1.7506 1.3410 2.1675 H 1 UNL111111111 0.1556 88 H -4.1515 -1.1284 0.5039 H 1 UNL111111111 0.2153 89 H -7.5906 1.1998 1.7153 H 1 UNL111111111 0.1729 90 H -6.0811 2.8533 2.8050 H 1 UNL111111111 0.1577 91 H -3.6326 2.5166 2.7706 H 1 UNL111111111 0.1605 @BOND 1 1 51 1 2 1 52 1 3 1 53 1 4 2 1 1 5 3 2 1 6 4 3 ar 7 4 54 1 8 5 3 ar 9 5 6 1 10 6 7 1 11 7 55 1 12 8 6 2 13 9 5 ar 14 9 56 1 15 10 11 ar 16 10 9 ar 17 10 57 1 18 11 4 ar 19 12 13 am 20 12 11 1 21 12 58 1 22 13 14 2 23 15 13 1 24 15 16 1 25 15 59 1 26 15 60 1 27 16 17 1 28 16 18 1 29 17 61 1 30 17 62 1 31 18 63 1 32 18 64 1 33 18 65 1 34 19 16 1 35 20 19 2 36 21 19 am 37 21 34 1 38 22 21 1 39 22 26 1 40 22 66 1 41 23 22 1 42 23 67 1 43 24 23 1 44 24 68 1 45 24 69 1 46 25 24 1 47 25 23 1 48 25 70 1 49 25 71 1 50 26 27 1 51 26 72 1 52 26 73 1 53 27 30 1 54 27 29 2 55 28 27 2 56 30 32 1 57 30 33 1 58 31 30 1 59 31 74 1 60 31 75 1 61 31 76 1 62 32 77 1 63 32 78 1 64 32 79 1 65 33 80 1 66 33 81 1 67 33 82 1 68 34 43 1 69 34 83 1 70 35 42 ar 71 35 34 1 72 36 35 ar 73 36 84 1 74 37 39 ar 75 37 36 ar 76 38 37 1 77 39 41 ar 78 40 39 1 79 41 42 ar 80 41 85 1 81 42 86 1 82 43 44 1 83 43 17 1 84 43 87 1 85 44 50 ar 86 45 44 ar 87 45 46 ar 88 45 88 1 89 46 48 ar 90 47 46 1 91 48 49 ar 92 48 89 1 93 49 90 1 94 50 49 ar 95 50 91 1