@MOLECULE methyl [(2s)-1-{2-[(2s)-2-benzyl-2-hydroxy-3-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-3-oxopropyl]-2-(4-bromobenzyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate 86 89 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.5514 -0.6872 2.3210 C.ar 1 UNL1111111111 0.0104 2 C 4.7182 -0.9635 1.6058 C.ar 1 UNL1111111111 -0.1759 3 C 5.6836 -1.8124 2.1424 C.ar 1 UNL1111111111 -0.1447 4 C 5.4937 -2.3826 3.3992 C.ar 1 UNL1111111111 -0.1638 5 C 4.3399 -2.0902 4.1249 C.ar 1 UNL1111111111 -0.1538 6 C 3.3747 -1.2408 3.5917 C.ar 1 UNL1111111111 -0.1710 7 C -1.0319 -2.9644 -0.5497 C.ar 1 UNL1111111111 -0.0178 8 C -1.5510 -1.9220 -1.3225 C.ar 1 UNL1111111111 -0.0613 9 C -2.9045 -1.5977 -1.2441 C.ar 1 UNL1111111111 -0.1542 10 C -3.7173 -2.3399 -0.3973 C.ar 1 UNL1111111111 -0.0148 11 C -3.2289 -3.3932 0.3649 C.ar 1 UNL1111111111 -0.1686 12 C -1.8717 -3.7028 0.2853 C.ar 1 UNL1111111111 -0.1680 13 C 0.4385 -3.2752 -0.6081 C.3 1 UNL1111111111 -0.1454 14 C 3.0859 4.5194 -1.1931 C.3 1 UNL1111111111 -0.1596 15 C 1.0366 -1.8845 1.3211 C.3 1 UNL1111111111 -0.2020 16 O 1.3709 2.5439 -1.6372 O.2 1 UNL1111111111 -0.5718 17 N 3.1343 1.0352 -1.7141 N.am 1 UNL1111111111 -0.5864 18 C 2.5106 0.2167 1.7343 C.3 1 UNL1111111111 -0.3189 19 O 0.6576 -0.2848 3.0610 O.3 1 UNL1111111111 -0.5596 20 O 3.5468 3.2190 -1.5483 O.3 1 UNL1111111111 -0.4171 21 C 0.1195 0.4408 0.8604 C.2 1 UNL1111111111 0.5189 22 O -0.6094 -0.0613 0.0285 O.2 1 UNL1111111111 -0.5376 23 N 0.0492 1.7805 1.1290 N.am 1 UNL1111111111 -0.5540 24 C -0.8039 2.6138 0.2892 C.3 1 UNL1111111111 0.0331 25 C -2.2584 2.6210 0.6910 C.ar 1 UNL1111111111 -0.0666 26 C -2.7605 3.9343 0.7065 C.ar 1 UNL1111111111 -0.0194 27 C -3.0789 1.5430 0.9648 C.ar 1 UNL1111111111 -0.1310 28 C -4.4203 1.7878 1.2797 C.ar 1 UNL1111111111 -0.1580 29 C -4.9166 3.0879 1.3049 C.ar 1 UNL1111111111 -0.1387 30 C -0.3798 4.1250 0.3781 C.3 1 UNL1111111111 0.1413 31 O 0.3226 4.3768 1.5709 O.3 1 UNL1111111111 -0.5680 32 C 2.5524 2.2772 -1.6518 C.2 1 UNL1111111111 0.7221 33 C -4.0870 4.1778 1.0139 C.ar 1 UNL1111111111 -0.1775 34 C -1.7017 4.9294 0.3470 C.3 1 UNL1111111111 -0.3551 35 C 2.3258 -0.1590 -1.9967 C.3 1 UNL1111111111 0.0014 36 C 2.1251 -0.4240 -3.5254 C.3 1 UNL1111111111 0.1074 37 C 3.4409 -0.2717 -4.2944 C.3 1 UNL1111111111 -0.4775 38 C 1.1013 -0.3903 1.7209 C.3 1 UNL1111111111 0.2433 39 C 1.5864 -1.8484 -3.7162 C.3 1 UNL1111111111 -0.4712 40 C 3.1346 -1.2928 -1.3479 C.2 1 UNL1111111111 0.5834 41 N 1.1941 -2.0561 -0.1509 N.3 1 UNL1111111111 -0.1870 42 O 4.3321 -1.4112 -1.5442 O.2 1 UNL1111111111 -0.5599 43 N 2.5474 -2.2243 -0.5084 N.am 1 UNL1111111111 -0.4913 44 BR -5.5610 -1.8924 -0.2707 Br 1 UNL1111111111 -0.0753 45 C 1.0878 0.5735 -4.0568 C.3 1 UNL1111111111 -0.4677 46 H 4.8839 -0.5196 0.6229 H 1 UNL1111111111 0.1707 47 H 6.5877 -2.0278 1.5751 H 1 UNL1111111111 0.1538 48 H 6.2466 -3.0471 3.8163 H 1 UNL1111111111 0.1495 49 H 4.1957 -2.5215 5.1133 H 1 UNL1111111111 0.1472 50 H 2.4791 -1.0022 4.1686 H 1 UNL1111111111 0.1748 51 H -0.8866 -1.3270 -1.9557 H 1 UNL1111111111 0.1775 52 H -3.2943 -0.7636 -1.8278 H 1 UNL1111111111 0.1725 53 H -3.8788 -3.9717 1.0190 H 1 UNL1111111111 0.1640 54 H -1.4756 -4.5222 0.8812 H 1 UNL1111111111 0.1503 55 H 0.7378 -3.4959 -1.6612 H 1 UNL1111111111 0.1670 56 H 0.6960 -4.1818 -0.0216 H 1 UNL1111111111 0.1309 57 H 4.0103 5.1092 -1.2003 H 1 UNL1111111111 0.1447 58 H 2.3723 4.8920 -1.9347 H 1 UNL1111111111 0.1368 59 H 2.6365 4.4976 -0.1918 H 1 UNL1111111111 0.1504 60 H 0.0335 -2.2725 1.6194 H 1 UNL1111111111 0.1673 61 H 1.7819 -2.4560 1.9165 H 1 UNL1111111111 0.1547 62 H 4.1379 0.9461 -1.8722 H 1 UNL1111111111 0.3398 63 H 2.7838 0.5223 0.7001 H 1 UNL1111111111 0.1790 64 H 2.4950 1.1619 2.3272 H 1 UNL1111111111 0.1765 65 H -0.2814 -0.5489 3.1556 H 1 UNL1111111111 0.3267 66 H 0.6315 2.2487 1.8070 H 1 UNL1111111111 0.3310 67 H -0.7223 2.2636 -0.7844 H 1 UNL1111111111 0.2007 68 H -2.6948 0.5230 0.9207 H 1 UNL1111111111 0.1764 69 H -5.0800 0.9505 1.5007 H 1 UNL1111111111 0.1556 70 H -5.9625 3.2630 1.5492 H 1 UNL1111111111 0.1478 71 H 0.3493 4.4018 -0.4082 H 1 UNL1111111111 0.1612 72 H -0.2733 4.3391 2.3481 H 1 UNL1111111111 0.3259 73 H -4.4828 5.1885 1.0285 H 1 UNL1111111111 0.1514 74 H -1.6645 5.7879 1.0405 H 1 UNL1111111111 0.1668 75 H -1.8828 5.3589 -0.6562 H 1 UNL1111111111 0.1680 76 H 1.3101 -0.0495 -1.5082 H 1 UNL1111111111 0.2189 77 H 4.2380 -0.8903 -3.8565 H 1 UNL1111111111 0.1716 78 H 3.3269 -0.5817 -5.3386 H 1 UNL1111111111 0.1480 79 H 3.7950 0.7635 -4.3060 H 1 UNL1111111111 0.1437 80 H 0.6651 -2.0081 -3.1432 H 1 UNL1111111111 0.1536 81 H 1.3510 -2.0415 -4.7687 H 1 UNL1111111111 0.1498 82 H 2.3182 -2.6045 -3.4085 H 1 UNL1111111111 0.1527 83 H 3.1352 -2.8559 0.0325 H 1 UNL1111111111 0.3132 84 H 1.4294 1.6103 -3.9609 H 1 UNL1111111111 0.1539 85 H 0.8732 0.3978 -5.1150 H 1 UNL1111111111 0.1429 86 H 0.1395 0.5046 -3.5076 H 1 UNL1111111111 0.1618 @BOND 1 1 2 ar 2 1 6 ar 3 1 18 1 4 2 3 ar 5 2 46 1 6 3 4 ar 7 3 47 1 8 4 5 ar 9 4 48 1 10 5 6 ar 11 5 49 1 12 6 50 1 13 7 8 ar 14 7 12 ar 15 7 13 1 16 8 9 ar 17 8 51 1 18 9 10 ar 19 9 52 1 20 10 11 ar 21 10 44 1 22 11 12 ar 23 11 53 1 24 12 54 1 25 13 41 1 26 13 55 1 27 13 56 1 28 14 20 1 29 14 57 1 30 14 58 1 31 14 59 1 32 15 38 1 33 15 41 1 34 15 60 1 35 15 61 1 36 16 32 2 37 17 32 am 38 17 35 1 39 17 62 1 40 18 38 1 41 18 63 1 42 18 64 1 43 19 38 1 44 19 65 1 45 20 32 1 46 21 22 2 47 21 23 am 48 21 38 1 49 23 24 1 50 23 66 1 51 24 25 1 52 24 30 1 53 24 67 1 54 25 26 ar 55 25 27 ar 56 26 33 ar 57 26 34 1 58 27 28 ar 59 27 68 1 60 28 29 ar 61 28 69 1 62 29 33 ar 63 29 70 1 64 30 31 1 65 30 34 1 66 30 71 1 67 31 72 1 68 33 73 1 69 34 74 1 70 34 75 1 71 35 36 1 72 35 40 1 73 35 76 1 74 36 37 1 75 36 39 1 76 36 45 1 77 37 77 1 78 37 78 1 79 37 79 1 80 39 80 1 81 39 81 1 82 39 82 1 83 40 42 2 84 40 43 am 85 41 43 1 86 43 83 1 87 45 84 1 88 45 85 1 89 45 86 1