@MOLECULE n-{(2s)-3-[(3s)-8',9'-dihydro-1h,3'h-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-n-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide 79 83 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.0579 0.6959 0.3873 C.3 1 UNL1111111111 0.2659 2 C 5.4684 0.2210 0.7772 C.3 1 UNL1111111111 -0.3018 3 C 5.4693 -1.2825 1.0770 C.3 1 UNL1111111111 -0.2649 4 C 4.8400 -2.0863 -0.0813 C.3 1 UNL1111111111 -0.1014 5 C 3.4736 -0.1925 -0.7357 C.3 1 UNL1111111111 -0.1720 6 O 3.3018 0.5050 1.5889 O.3 1 UNL1111111111 -0.3235 7 C 2.0315 0.9926 1.5540 C.ar 1 UNL1111111111 0.1783 8 C 1.6558 2.0588 0.7499 C.ar 1 UNL1111111111 -0.0806 9 C 2.6002 2.6714 -0.2244 C.3 1 UNL1111111111 -0.2617 10 C 4.0359 2.1830 0.0034 C.3 1 UNL1111111111 -0.3329 11 C 1.1401 0.3261 2.4374 C.ar 1 UNL1111111111 -0.1622 12 C -0.1709 0.7308 2.5390 C.ar 1 UNL1111111111 -0.1643 13 C -0.5680 1.8244 1.7509 C.ar 1 UNL1111111111 0.0474 14 C 0.3309 2.4975 0.8643 C.ar 1 UNL1111111111 -0.0966 15 N -1.7916 2.4820 1.6387 N.ar 1 UNL1111111111 -0.2519 16 N -1.7164 3.4948 0.7394 N.ar 1 UNL1111111111 -0.2017 17 C -0.4575 3.5417 0.2665 C.ar 1 UNL1111111111 -0.1022 18 C 2.5725 -2.4449 -1.0535 C.3 1 UNL1111111111 -0.1830 19 C 1.2256 -2.4762 -0.2820 C.3 1 UNL1111111111 0.1477 20 C -0.0095 -2.5030 -1.2084 C.3 1 UNL1111111111 -0.1057 21 O 1.1533 -3.6950 0.4426 O.3 1 UNL1111111111 -0.5847 22 N -0.8443 -1.3250 -0.9235 N.3 1 UNL1111111111 -0.7514 23 C -0.2642 -0.0447 -1.3347 C.3 1 UNL1111111111 -0.1138 24 C 0.0387 0.0829 -2.8439 C.3 1 UNL1111111111 -0.0692 25 C -3.2039 -0.8813 0.4020 C.ar 1 UNL1111111111 -0.4708 26 C -4.0147 0.2621 0.4502 C.ar 1 UNL1111111111 0.1689 27 C -4.5196 0.7048 1.6805 C.ar 1 UNL1111111111 -0.2896 28 C -4.2091 0.0310 2.8557 C.ar 1 UNL1111111111 -0.0693 29 C -3.3933 -1.0917 2.8131 C.ar 1 UNL1111111111 -0.2661 30 C -2.8998 -1.5662 1.5904 C.ar 1 UNL1111111111 0.1881 31 C -2.0640 -2.7961 1.6349 C.3 1 UNL1111111111 -0.4985 32 C -4.3738 1.0717 -0.7453 C.3 1 UNL1111111111 -0.4802 33 O 0.5940 1.3729 -3.0267 O.3 1 UNL1111111111 -0.4273 34 C -1.5421 2.5729 -3.0702 C.3 1 UNL1111111111 -0.5029 35 C -0.2132 2.2839 -3.7515 C.3 1 UNL1111111111 -0.0015 36 S -2.5746 -1.4941 -1.1242 S.O2 1 UNL1111111111 2.3624 37 O -2.9525 -0.6137 -2.2126 O.2 1 UNL1111111111 -0.9436 38 O -2.8509 -2.9112 -1.2276 O.2 1 UNL1111111111 -0.9097 39 N 3.4615 -1.5860 -0.2510 N.3 1 UNL1111111111 -0.4397 40 H 6.1752 0.4548 -0.0385 H 1 UNL1111111111 0.1423 41 H 5.8179 0.7790 1.6673 H 1 UNL1111111111 0.1522 42 H 6.4942 -1.6391 1.2724 H 1 UNL1111111111 0.1301 43 H 4.8828 -1.4679 2.0018 H 1 UNL1111111111 0.1630 44 H 5.4561 -1.9959 -0.9995 H 1 UNL1111111111 0.1119 45 H 4.8053 -3.1630 0.1875 H 1 UNL1111111111 0.1320 46 H 2.4272 0.1222 -0.9601 H 1 UNL1111111111 0.1620 47 H 4.0546 -0.0522 -1.6704 H 1 UNL1111111111 0.1257 48 H 2.2642 2.4315 -1.2613 H 1 UNL1111111111 0.1692 49 H 2.5627 3.7791 -0.1578 H 1 UNL1111111111 0.1594 50 H 4.4994 2.7705 0.8215 H 1 UNL1111111111 0.1595 51 H 4.6514 2.3627 -0.8948 H 1 UNL1111111111 0.1485 52 H 1.5239 -0.5156 3.0127 H 1 UNL1111111111 0.1733 53 H -0.8801 0.2254 3.1878 H 1 UNL1111111111 0.1655 54 H -0.1364 4.2762 -0.4474 H 1 UNL1111111111 0.1836 55 H 2.9684 -3.4790 -1.1354 H 1 UNL1111111111 0.1498 56 H 2.4386 -2.0864 -2.0928 H 1 UNL1111111111 0.1293 57 H 1.1704 -1.6402 0.4591 H 1 UNL1111111111 0.1603 58 H 0.2837 -2.5716 -2.2756 H 1 UNL1111111111 0.1241 59 H -0.5832 -3.4462 -0.9925 H 1 UNL1111111111 0.1938 60 H 1.8518 -3.7144 1.1250 H 1 UNL1111111111 0.3237 61 H -0.9275 0.7954 -1.0206 H 1 UNL1111111111 0.1593 62 H 0.6786 0.1196 -0.7543 H 1 UNL1111111111 0.1552 63 H 0.8418 -0.6003 -3.1688 H 1 UNL1111111111 0.1190 64 H -0.8590 -0.0919 -3.4616 H 1 UNL1111111111 0.1529 65 H -5.1744 1.5728 1.7135 H 1 UNL1111111111 0.1592 66 H -4.6087 0.3803 3.8074 H 1 UNL1111111111 0.1429 67 H -3.1495 -1.6164 3.7335 H 1 UNL1111111111 0.1573 68 H -1.0168 -2.6051 1.3252 H 1 UNL1111111111 0.2062 69 H -2.0075 -3.2457 2.6336 H 1 UNL1111111111 0.1531 70 H -2.4443 -3.5908 0.9646 H 1 UNL1111111111 0.1985 71 H -4.8784 0.4764 -1.5280 H 1 UNL1111111111 0.1936 72 H -5.0361 1.9162 -0.5151 H 1 UNL1111111111 0.1553 73 H -3.4814 1.5016 -1.2372 H 1 UNL1111111111 0.1894 74 H -2.1805 1.6738 -3.0322 H 1 UNL1111111111 0.1815 75 H -1.3978 2.9106 -2.0359 H 1 UNL1111111111 0.1619 76 H -2.1043 3.3482 -3.5984 H 1 UNL1111111111 0.1451 77 H 0.4434 3.1749 -3.7802 H 1 UNL1111111111 0.1287 78 H -0.3534 1.9001 -4.7779 H 1 UNL1111111111 0.1098 79 H -2.6774 2.2375 2.0353 H 1 UNL1111111111 0.3382 @BOND 1 1 5 1 2 1 2 1 3 2 3 1 4 2 40 1 5 2 41 1 6 3 4 1 7 3 42 1 8 3 43 1 9 4 44 1 10 4 45 1 11 5 39 1 12 5 46 1 13 5 47 1 14 6 1 1 15 7 6 1 16 8 7 ar 17 8 9 1 18 9 10 1 19 9 48 1 20 9 49 1 21 10 1 1 22 10 50 1 23 10 51 1 24 11 7 ar 25 11 52 1 26 12 11 ar 27 12 53 1 28 13 12 ar 29 13 14 ar 30 14 8 ar 31 15 13 ar 32 15 79 1 33 16 15 ar 34 16 17 ar 35 17 14 ar 36 17 54 1 37 18 55 1 38 18 56 1 39 19 18 1 40 19 20 1 41 19 57 1 42 20 58 1 43 20 59 1 44 21 19 1 45 21 60 1 46 22 20 1 47 22 23 1 48 23 61 1 49 23 62 1 50 24 23 1 51 24 63 1 52 24 64 1 53 25 36 1 54 25 30 ar 55 26 25 ar 56 27 26 ar 57 27 28 ar 58 27 65 1 59 28 29 ar 60 28 66 1 61 29 30 ar 62 29 67 1 63 30 31 1 64 31 68 1 65 31 69 1 66 31 70 1 67 32 26 1 68 32 71 1 69 32 72 1 70 32 73 1 71 33 24 1 72 33 35 1 73 34 35 1 74 34 74 1 75 34 75 1 76 34 76 1 77 35 77 1 78 35 78 1 79 36 22 1 80 36 37 2 81 38 36 2 82 39 4 1 83 39 18 1