@MOLECULE 4'-{(2r)-2-hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}spiro[cyclohexane-1,2'-inden]-1'(3'h)-one 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1162 0.3670 -1.8343 O.2 1 UNL1111111111 -0.4325 2 O 1.4589 -2.3918 0.5473 O.3 1 UNL1111111111 -0.3651 3 O 1.9735 -1.3402 2.9974 O.3 1 UNL1111111111 -0.5525 4 N 3.2867 0.9017 0.4093 N.3 1 UNL1111111111 -0.5884 5 C -2.3955 -0.2067 0.4395 C.3 1 UNL1111111111 -0.0288 6 C -3.7025 -0.8799 0.8690 C.3 1 UNL1111111111 -0.2667 7 C -2.2622 1.2007 1.0413 C.3 1 UNL1111111111 -0.2652 8 C -1.1652 -1.0804 0.8526 C.3 1 UNL1111111111 -0.3015 9 C -4.9230 0.0060 0.5883 C.3 1 UNL1111111111 -0.2672 10 C -3.4950 2.0638 0.7473 C.3 1 UNL1111111111 -0.2638 11 C -2.3011 -0.1104 -1.0951 C.2 1 UNL1111111111 0.4599 12 C -4.7656 1.3753 1.2598 C.3 1 UNL1111111111 -0.2631 13 C -0.3550 -1.2329 -0.3917 C.ar 1 UNL1111111111 -0.0435 14 C -1.0071 -0.7038 -1.5133 C.ar 1 UNL1111111111 -0.1562 15 C 0.9024 -1.8048 -0.5549 C.ar 1 UNL1111111111 0.1967 16 C -0.4486 -0.7469 -2.7779 C.ar 1 UNL1111111111 -0.1099 17 C 1.4897 -1.8583 -1.8254 C.ar 1 UNL1111111111 -0.1929 18 C 0.8129 -1.3350 -2.9242 C.ar 1 UNL1111111111 -0.1438 19 C 2.8112 -2.0438 0.8365 C.3 1 UNL1111111111 -0.0916 20 C 2.8097 -0.9608 1.9277 C.3 1 UNL1111111111 0.1149 21 C 2.8460 2.1051 -0.3454 C.3 1 UNL1111111111 0.2868 22 C 2.3201 0.4112 1.4103 C.3 1 UNL1111111111 -0.1638 23 C 3.9882 2.4310 -1.3325 C.3 1 UNL1111111111 -0.4758 24 C 1.5664 1.7974 -1.1376 C.3 1 UNL1111111111 -0.4735 25 C 2.6051 3.3218 0.5748 C.3 1 UNL1111111111 -0.5106 26 H -3.6572 -1.1117 1.9513 H 1 UNL1111111111 0.1425 27 H -3.8196 -1.8504 0.3497 H 1 UNL1111111111 0.1392 28 H -1.3527 1.6968 0.6527 H 1 UNL1111111111 0.1345 29 H -2.1252 1.1179 2.1372 H 1 UNL1111111111 0.1450 30 H -1.4826 -2.0692 1.2364 H 1 UNL1111111111 0.1681 31 H -0.5902 -0.6180 1.6740 H 1 UNL1111111111 0.1604 32 H -5.8423 -0.4931 0.9417 H 1 UNL1111111111 0.1281 33 H -5.0483 0.1399 -0.5064 H 1 UNL1111111111 0.1611 34 H -3.5828 2.2421 -0.3440 H 1 UNL1111111111 0.1558 35 H -3.3815 3.0588 1.2125 H 1 UNL1111111111 0.1280 36 H -5.6497 2.0043 1.0501 H 1 UNL1111111111 0.1301 37 H -4.7233 1.2608 2.3578 H 1 UNL1111111111 0.1311 38 H -0.9808 -0.3305 -3.6325 H 1 UNL1111111111 0.1697 39 H 2.4713 -2.3104 -1.9501 H 1 UNL1111111111 0.1636 40 H 1.2720 -1.3831 -3.9101 H 1 UNL1111111111 0.1545 41 H 3.2226 -3.0001 1.2115 H 1 UNL1111111111 0.1507 42 H 3.3714 -1.7102 -0.0536 H 1 UNL1111111111 0.1565 43 H 3.8134 -0.8792 2.4035 H 1 UNL1111111111 0.1415 44 H 2.1876 1.0976 2.2741 H 1 UNL1111111111 0.1321 45 H 1.3215 0.2990 0.9368 H 1 UNL1111111111 0.1578 46 H 4.1934 1.0711 0.8442 H 1 UNL1111111111 0.2562 47 H 4.2103 1.5609 -1.9630 H 1 UNL1111111111 0.1594 48 H 3.7139 3.2595 -1.9914 H 1 UNL1111111111 0.1483 49 H 4.9102 2.7087 -0.8146 H 1 UNL1111111111 0.1415 50 H 0.6854 1.7220 -0.4931 H 1 UNL1111111111 0.1465 51 H 1.6625 0.8430 -1.6742 H 1 UNL1111111111 0.1668 52 H 1.3630 2.5761 -1.8791 H 1 UNL1111111111 0.1497 53 H 3.4933 3.5635 1.1644 H 1 UNL1111111111 0.1440 54 H 2.3491 4.2091 -0.0130 H 1 UNL1111111111 0.1546 55 H 1.7789 3.1428 1.2695 H 1 UNL1111111111 0.1517 56 H 1.1595 -1.7704 2.6529 H 1 UNL1111111111 0.3293 @BOND 1 1 11 2 2 2 15 1 3 2 19 1 4 3 20 1 5 3 56 1 6 4 21 1 7 4 22 1 8 4 46 1 9 5 6 1 10 5 7 1 11 5 8 1 12 5 11 1 13 6 9 1 14 6 26 1 15 6 27 1 16 7 10 1 17 7 28 1 18 7 29 1 19 8 13 1 20 8 30 1 21 8 31 1 22 9 12 1 23 9 32 1 24 9 33 1 25 10 12 1 26 10 34 1 27 10 35 1 28 11 14 1 29 12 36 1 30 12 37 1 31 13 14 ar 32 13 15 ar 33 14 16 ar 34 15 17 ar 35 16 18 ar 36 16 38 1 37 17 18 ar 38 17 39 1 39 18 40 1 40 19 20 1 41 19 41 1 42 19 42 1 43 20 22 1 44 20 43 1 45 21 23 1 46 21 24 1 47 21 25 1 48 22 44 1 49 22 45 1 50 23 47 1 51 23 48 1 52 23 49 1 53 24 50 1 54 24 51 1 55 24 52 1 56 25 53 1 57 25 54 1 58 25 55 1