@MOLECULE (3z)-3-(4-hydroxy-3,5-diisopropylbenzylidene)-1,3-dihydro-2h-indol-2-one 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5232 0.0196 -0.3107 O.3 1 UNL111111111 -0.4795 2 O 0.8058 -0.0650 -2.0109 O.2 1 UNL111111111 -0.4401 3 N 3.0898 -0.0775 -1.8108 N.am 1 UNL111111111 -0.5840 4 C -2.5231 -1.2405 0.2069 C.ar 1 UNL111111111 -0.1399 5 C -2.5809 1.2182 0.1678 C.ar 1 UNL111111111 -0.0720 6 C -3.2114 -2.5641 0.0185 C.3 1 UNL111111111 -0.0470 7 C -3.3483 2.4901 -0.0648 C.3 1 UNL111111111 -0.0565 8 C -3.2044 -0.0316 0.0217 C.ar 1 UNL111111111 0.2329 9 C -0.5350 0.0438 0.7058 C.ar 1 UNL111111111 -0.0846 10 C -1.1732 -1.1852 0.5527 C.ar 1 UNL111111111 -0.1016 11 C -1.2340 1.2382 0.5159 C.ar 1 UNL111111111 -0.1131 12 C -3.1795 -3.3736 1.3217 C.3 1 UNL111111111 -0.4488 13 C -2.5475 -3.3408 -1.1260 C.3 1 UNL111111111 -0.4468 14 C -2.7249 3.2693 -1.2312 C.3 1 UNL111111111 -0.4451 15 C -3.3662 3.3399 1.2135 C.3 1 UNL111111111 -0.4478 16 C 0.8799 0.0824 1.0799 C.2 1 UNL111111111 -0.0335 17 C 1.8885 0.0406 0.2041 C.2 1 UNL111111111 -0.1389 18 C 3.3231 0.0549 0.4845 C.ar 1 UNL111111111 -0.1173 19 C 4.0205 -0.0205 -0.7621 C.ar 1 UNL111111111 0.2186 20 C 1.7650 -0.0369 -1.2909 C.2 1 UNL111111111 0.5879 21 C 4.0331 0.1221 1.6647 C.ar 1 UNL111111111 -0.0794 22 C 5.4049 -0.0296 -0.8235 C.ar 1 UNL111111111 -0.2613 23 C 5.4344 0.1138 1.6081 C.ar 1 UNL111111111 -0.2192 24 C 6.1015 0.0393 0.3886 C.ar 1 UNL111111111 -0.0738 25 H -4.2895 -2.4046 -0.2564 H 1 UNL111111111 0.1154 26 H -4.4101 2.2479 -0.3361 H 1 UNL111111111 0.1574 27 H -0.6120 -2.1088 0.6919 H 1 UNL111111111 0.1583 28 H -0.7174 2.1914 0.6269 H 1 UNL111111111 0.1608 29 H -2.1544 -3.6264 1.6149 H 1 UNL111111111 0.1494 30 H -3.7321 -4.3133 1.2192 H 1 UNL111111111 0.1442 31 H -3.6248 -2.8100 2.1495 H 1 UNL111111111 0.1477 32 H -2.5127 -2.7395 -2.0437 H 1 UNL111111111 0.1564 33 H -3.0872 -4.2663 -1.3479 H 1 UNL111111111 0.1423 34 H -1.5126 -3.6101 -0.8850 H 1 UNL111111111 0.1521 35 H -1.7058 3.5981 -1.0031 H 1 UNL111111111 0.1449 36 H -3.3166 4.1570 -1.4742 H 1 UNL111111111 0.1408 37 H -2.6707 2.6451 -2.1321 H 1 UNL111111111 0.1537 38 H -3.7899 2.7760 2.0522 H 1 UNL111111111 0.1456 39 H -3.9738 4.2404 1.0774 H 1 UNL111111111 0.1425 40 H -2.3603 3.6592 1.5037 H 1 UNL111111111 0.1425 41 H 1.0703 0.1456 2.1576 H 1 UNL111111111 0.1627 42 H 3.3240 -0.1269 -2.7787 H 1 UNL111111111 0.3299 43 H -4.9071 -0.8857 -0.4479 H 1 UNL111111111 0.3253 44 H 3.5219 0.1806 2.6231 H 1 UNL111111111 0.1523 45 H 5.9344 -0.0871 -1.7681 H 1 UNL111111111 0.1654 46 H 6.0042 0.1668 2.5323 H 1 UNL111111111 0.1528 47 H 7.1916 0.0346 0.3725 H 1 UNL111111111 0.1483 @BOND 1 1 8 1 2 1 43 1 3 2 20 2 4 3 19 1 5 3 20 am 6 3 42 1 7 4 6 1 8 4 8 ar 9 4 10 ar 10 5 7 1 11 5 8 ar 12 5 11 ar 13 6 12 1 14 6 13 1 15 6 25 1 16 7 14 1 17 7 15 1 18 7 26 1 19 9 10 ar 20 9 11 ar 21 9 16 1 22 10 27 1 23 11 28 1 24 12 29 1 25 12 30 1 26 12 31 1 27 13 32 1 28 13 33 1 29 13 34 1 30 14 35 1 31 14 36 1 32 14 37 1 33 15 38 1 34 15 39 1 35 15 40 1 36 16 17 2 37 16 41 1 38 17 18 1 39 17 20 1 40 18 19 ar 41 18 21 ar 42 19 22 ar 43 21 23 ar 44 21 44 1 45 22 24 ar 46 22 45 1 47 23 24 ar 48 23 46 1 49 24 47 1