@MOLECULE (2s)-1-[(2s,4s,5s)-2-hydroxy-4-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]carbamoyl}-5-phenylhexyl]-n-(2-methyl-2-propanyl)-4-(3-pyridinylmethyl)-2-piperazinecarboxamide 95 99 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.4449 0.0761 -1.4529 N.3 1 UNL111111111111 -0.4174 2 C 4.0999 -0.7396 -0.2686 C.3 1 UNL111111111111 -0.1122 3 C 3.1535 -1.8722 -0.7526 C.3 1 UNL111111111111 -0.0569 4 C 2.8889 -2.7670 0.4672 C.2 1 UNL111111111111 0.5652 5 O 2.7122 -2.3300 1.5822 O.2 1 UNL111111111111 -0.5067 6 N 2.8964 -4.1230 0.1971 N.am 1 UNL111111111111 -0.6611 7 C 2.6380 -5.1420 1.2425 C.3 1 UNL111111111111 0.3425 8 C 2.7756 -6.5286 0.5797 C.3 1 UNL111111111111 -0.4993 9 C 3.6652 -5.0098 2.3773 C.3 1 UNL111111111111 -0.4916 10 C 1.2093 -4.9599 1.7813 C.3 1 UNL111111111111 -0.4896 11 N 1.8998 -1.2248 -1.2059 N.3 1 UNL111111111111 -0.4034 12 C 2.2013 -0.3730 -2.3855 C.3 1 UNL111111111111 -0.1181 13 C 3.2230 0.7195 -1.9920 C.3 1 UNL111111111111 -0.1235 14 C 0.8087 -2.1794 -1.5075 C.3 1 UNL111111111111 -0.1886 15 C -0.5176 -1.3909 -1.3990 C.3 1 UNL111111111111 0.1605 16 O -0.8690 -0.8494 -2.6542 O.3 1 UNL111111111111 -0.5714 17 C -1.6628 -2.2677 -0.8691 C.3 1 UNL111111111111 -0.3373 18 C -2.9339 -1.4190 -0.7589 C.3 1 UNL111111111111 -0.1887 19 C -4.2129 -2.2354 -0.4613 C.3 1 UNL111111111111 -0.0971 20 C -5.3207 -1.2521 -0.1694 C.ar 1 UNL111111111111 -0.0244 21 C -5.7939 -1.1213 1.1372 C.ar 1 UNL111111111111 -0.1544 22 C -6.7523 -0.1575 1.4426 C.ar 1 UNL111111111111 -0.1448 23 C -7.2430 0.6808 0.4432 C.ar 1 UNL111111111111 -0.1532 24 C -6.7818 0.5435 -0.8651 C.ar 1 UNL111111111111 -0.1461 25 C -5.8271 -0.4221 -1.1718 C.ar 1 UNL111111111111 -0.1773 26 C -2.7333 -0.4601 0.4122 C.2 1 UNL111111111111 0.5792 27 O -2.7367 -0.8129 1.5733 O.2 1 UNL111111111111 -0.5369 28 N -2.5770 0.8666 0.0618 N.am 1 UNL111111111111 -0.6036 29 C -2.2944 1.8768 1.0754 C.3 1 UNL111111111111 0.0202 30 C -3.3936 3.0144 1.0665 C.3 1 UNL111111111111 0.1404 31 O -4.4841 2.7506 0.2245 O.3 1 UNL111111111111 -0.5665 32 C -2.7116 4.2841 0.4963 C.3 1 UNL111111111111 -0.3286 33 C -1.2622 3.9405 0.3934 C.ar 1 UNL111111111111 0.0205 34 C -0.2201 4.7715 0.0133 C.ar 1 UNL111111111111 -0.1896 35 C 1.0759 4.2492 -0.0059 C.ar 1 UNL111111111111 -0.1223 36 C 1.3171 2.9258 0.3560 C.ar 1 UNL111111111111 -0.1845 37 C 0.2662 2.0828 0.7266 C.ar 1 UNL111111111111 -0.1090 38 C -1.0165 2.6030 0.7374 C.ar 1 UNL111111111111 -0.0863 39 C 5.5131 1.0560 -1.1655 C.3 1 UNL111111111111 -0.1181 40 C 5.1243 2.2127 -0.2864 C.ar 1 UNL111111111111 -0.1335 41 C 4.8866 3.4767 -0.8499 C.ar 1 UNL111111111111 0.0324 42 N 4.5223 4.5432 -0.1176 N.ar 1 UNL111111111111 -0.3708 43 C 4.3765 4.3908 1.2118 C.ar 1 UNL111111111111 0.0461 44 C 4.5983 3.1680 1.8581 C.ar 1 UNL111111111111 -0.2290 45 C 4.9841 2.0694 1.0947 C.ar 1 UNL111111111111 -0.0932 46 C -4.5886 -3.1523 -1.6267 C.3 1 UNL111111111111 -0.4458 47 H 5.0234 -1.1752 0.1616 H 1 UNL111111111111 0.1375 48 H 3.5880 -0.1635 0.5379 H 1 UNL111111111111 0.1594 49 H 3.6572 -2.4449 -1.5720 H 1 UNL111111111111 0.1343 50 H 3.0847 -4.4646 -0.7297 H 1 UNL111111111111 0.3059 51 H 2.5757 -7.3226 1.3075 H 1 UNL111111111111 0.1594 52 H 2.0667 -6.6606 -0.2443 H 1 UNL111111111111 0.1492 53 H 3.7862 -6.6963 0.1932 H 1 UNL111111111111 0.1517 54 H 4.6920 -5.0679 2.0041 H 1 UNL111111111111 0.1498 55 H 3.5598 -4.0422 2.8925 H 1 UNL111111111111 0.1834 56 H 3.5316 -5.7943 3.1273 H 1 UNL111111111111 0.1470 57 H 0.4596 -5.0621 0.9923 H 1 UNL111111111111 0.1455 58 H 0.9847 -5.6921 2.5606 H 1 UNL111111111111 0.1483 59 H 1.0843 -3.9593 2.2274 H 1 UNL111111111111 0.1858 60 H 2.5880 -0.9567 -3.2465 H 1 UNL111111111111 0.1183 61 H 1.2524 0.1170 -2.7101 H 1 UNL111111111111 0.1693 62 H 3.4993 1.3068 -2.8925 H 1 UNL111111111111 0.1373 63 H 2.7504 1.4218 -1.2686 H 1 UNL111111111111 0.1402 64 H 0.8079 -2.9978 -0.7552 H 1 UNL111111111111 0.1544 65 H 0.8989 -2.6580 -2.5029 H 1 UNL111111111111 0.1208 66 H -0.3714 -0.4690 -0.7782 H 1 UNL111111111111 0.1791 67 H -1.1040 -1.5427 -3.2967 H 1 UNL111111111111 0.3118 68 H -1.3965 -2.6869 0.1241 H 1 UNL111111111111 0.1747 69 H -1.8339 -3.1344 -1.5302 H 1 UNL111111111111 0.1452 70 H -3.0837 -0.8628 -1.7188 H 1 UNL111111111111 0.1688 71 H -4.0221 -2.8682 0.4449 H 1 UNL111111111111 0.1630 72 H -5.3908 -1.7536 1.9285 H 1 UNL111111111111 0.1636 73 H -7.1096 -0.0532 2.4656 H 1 UNL111111111111 0.1513 74 H -7.9790 1.4445 0.6833 H 1 UNL111111111111 0.1517 75 H -7.1635 1.1985 -1.6466 H 1 UNL111111111111 0.1527 76 H -5.4711 -0.5218 -2.1951 H 1 UNL111111111111 0.1513 77 H -2.4681 1.1520 -0.9028 H 1 UNL111111111111 0.3269 78 H -2.2453 1.3970 2.0884 H 1 UNL111111111111 0.1827 79 H -3.7987 3.1703 2.0863 H 1 UNL111111111111 0.1239 80 H -4.6828 1.7880 0.1826 H 1 UNL111111111111 0.3378 81 H -3.1479 4.5312 -0.4945 H 1 UNL111111111111 0.1814 82 H -2.8948 5.1642 1.1336 H 1 UNL111111111111 0.1564 83 H -0.4014 5.8047 -0.2639 H 1 UNL111111111111 0.1501 84 H 1.9079 4.8879 -0.3057 H 1 UNL111111111111 0.1582 85 H 2.3357 2.5411 0.3583 H 1 UNL111111111111 0.1496 86 H 0.4590 1.0438 0.9955 H 1 UNL111111111111 0.1718 87 H 6.3754 0.5050 -0.7192 H 1 UNL111111111111 0.1532 88 H 5.8829 1.4175 -2.1545 H 1 UNL111111111111 0.1521 89 H 4.9871 3.6544 -1.9268 H 1 UNL111111111111 0.1703 90 H 4.0704 5.2880 1.7622 H 1 UNL111111111111 0.1719 91 H 4.4681 3.0821 2.9338 H 1 UNL111111111111 0.1701 92 H 5.1727 1.1094 1.5745 H 1 UNL111111111111 0.1647 93 H -4.6472 -2.6089 -2.5760 H 1 UNL111111111111 0.1466 94 H -3.8639 -3.9633 -1.7484 H 1 UNL111111111111 0.1422 95 H -5.5696 -3.6155 -1.4571 H 1 UNL111111111111 0.1526 @BOND 1 1 2 1 2 1 13 1 3 1 39 1 4 2 3 1 5 2 47 1 6 2 48 1 7 3 4 1 8 3 11 1 9 3 49 1 10 4 5 2 11 4 6 am 12 6 7 1 13 6 50 1 14 7 8 1 15 7 9 1 16 7 10 1 17 8 51 1 18 8 52 1 19 8 53 1 20 9 54 1 21 9 55 1 22 9 56 1 23 10 57 1 24 10 58 1 25 10 59 1 26 11 12 1 27 11 14 1 28 12 13 1 29 12 60 1 30 12 61 1 31 13 62 1 32 13 63 1 33 14 15 1 34 14 64 1 35 14 65 1 36 15 16 1 37 15 17 1 38 15 66 1 39 16 67 1 40 17 18 1 41 17 68 1 42 17 69 1 43 18 19 1 44 18 26 1 45 18 70 1 46 19 20 1 47 19 46 1 48 19 71 1 49 20 21 ar 50 20 25 ar 51 21 22 ar 52 21 72 1 53 22 23 ar 54 22 73 1 55 23 24 ar 56 23 74 1 57 24 25 ar 58 24 75 1 59 25 76 1 60 26 27 2 61 26 28 am 62 28 29 1 63 28 77 1 64 29 30 1 65 29 38 1 66 29 78 1 67 30 31 1 68 30 32 1 69 30 79 1 70 31 80 1 71 32 33 1 72 32 81 1 73 32 82 1 74 33 34 ar 75 33 38 ar 76 34 35 ar 77 34 83 1 78 35 36 ar 79 35 84 1 80 36 37 ar 81 36 85 1 82 37 38 ar 83 37 86 1 84 39 40 1 85 39 87 1 86 39 88 1 87 40 41 ar 88 40 45 ar 89 41 42 ar 90 41 89 1 91 42 43 ar 92 43 44 ar 93 43 90 1 94 44 45 ar 95 44 91 1 96 45 92 1 97 46 93 1 98 46 94 1 99 46 95 1