@MOLECULE amino[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]malonic acid 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1541 -0.7264 -0.0342 O.3 1 UNL1111111111 -0.4856 2 O 2.9431 1.4132 -2.0838 O.3 1 UNL1111111111 -0.5564 3 O 2.3088 0.1089 2.3685 O.3 1 UNL1111111111 -0.5405 4 O 3.0821 -0.7700 -1.6406 O.2 1 UNL1111111111 -0.4570 5 O 3.9350 -0.7702 1.1097 O.2 1 UNL1111111111 -0.4595 6 N 2.6362 2.1309 0.4307 N.3 1 UNL1111111111 -0.6265 7 C -1.3228 -2.7770 -0.1064 C.3 1 UNL1111111111 0.1484 8 C -2.5954 2.1590 0.0491 C.3 1 UNL1111111111 0.1272 9 C -0.9075 -1.3207 -0.0391 C.ar 1 UNL1111111111 -0.0878 10 C -1.5374 1.0749 0.0330 C.ar 1 UNL1111111111 -0.1683 11 C -1.8714 -0.2885 -0.0103 C.ar 1 UNL1111111111 0.2750 12 C 0.7934 0.4069 0.0529 C.ar 1 UNL1111111111 -0.1448 13 C 0.4261 -0.9411 -0.0063 C.ar 1 UNL1111111111 -0.1155 14 C -0.1795 1.3977 0.0604 C.ar 1 UNL1111111111 -0.1030 15 C -2.1587 -3.1229 1.1390 C.3 1 UNL1111111111 -0.4614 16 C -0.1107 -3.7289 -0.1399 C.3 1 UNL1111111111 -0.4656 17 C -2.1385 -3.0117 -1.3905 C.3 1 UNL1111111111 -0.4611 18 C -3.4331 2.0783 -1.2418 C.3 1 UNL1111111111 -0.4656 19 C -3.4823 1.9952 1.2989 C.3 1 UNL1111111111 -0.4651 20 C -1.9951 3.5785 0.1098 C.3 1 UNL1111111111 -0.4610 21 C 2.2665 0.7507 0.1007 C.3 1 UNL1111111111 0.0925 22 C 2.8330 0.3393 -1.2634 C.2 1 UNL1111111111 0.6235 23 C 2.9644 -0.0770 1.1965 C.2 1 UNL1111111111 0.6285 24 H 1.2174 -1.6979 -0.0376 H 1 UNL1111111111 0.1811 25 H 0.1249 2.4433 0.0833 H 1 UNL1111111111 0.1540 26 H -3.1067 -2.5732 1.1588 H 1 UNL1111111111 0.1592 27 H -1.6171 -2.8765 2.0579 H 1 UNL1111111111 0.1452 28 H -2.4040 -4.1888 1.1666 H 1 UNL1111111111 0.1431 29 H 0.5045 -3.6346 0.7610 H 1 UNL1111111111 0.1474 30 H 0.5251 -3.5443 -1.0138 H 1 UNL1111111111 0.1532 31 H -0.4384 -4.7725 -0.1978 H 1 UNL1111111111 0.1460 32 H -3.0860 -2.4613 -1.3785 H 1 UNL1111111111 0.1589 33 H -2.3837 -4.0708 -1.5148 H 1 UNL1111111111 0.1430 34 H -1.5808 -2.6881 -2.2755 H 1 UNL1111111111 0.1466 35 H -4.1952 2.8647 -1.2684 H 1 UNL1111111111 0.1511 36 H -2.7941 2.2073 -2.1251 H 1 UNL1111111111 0.1585 37 H -3.9487 1.1210 -1.3667 H 1 UNL1111111111 0.1412 38 H -2.8702 2.0089 2.2101 H 1 UNL1111111111 0.1589 39 H -4.2098 2.8108 1.3776 H 1 UNL1111111111 0.1523 40 H -4.0475 1.0577 1.3125 H 1 UNL1111111111 0.1391 41 H -2.7871 4.3366 0.1204 H 1 UNL1111111111 0.1511 42 H -1.3988 3.7266 1.0164 H 1 UNL1111111111 0.1473 43 H -1.3646 3.7894 -0.7606 H 1 UNL1111111111 0.1481 44 H -3.8214 0.0102 -0.0070 H 1 UNL1111111111 0.3327 45 H 2.1202 2.4801 1.2264 H 1 UNL1111111111 0.2757 46 H 2.5543 2.7579 -0.3556 H 1 UNL1111111111 0.2819 47 H 3.3061 1.1861 -2.9774 H 1 UNL1111111111 0.3613 48 H 2.7279 -0.3651 3.1298 H 1 UNL1111111111 0.3526 @BOND 1 1 11 1 2 1 44 1 3 2 22 1 4 2 47 1 5 3 23 1 6 3 48 1 7 4 22 2 8 5 23 2 9 6 21 1 10 6 45 1 11 6 46 1 12 7 9 1 13 7 15 1 14 7 16 1 15 7 17 1 16 8 10 1 17 8 18 1 18 8 19 1 19 8 20 1 20 9 11 ar 21 9 13 ar 22 10 11 ar 23 10 14 ar 24 12 13 ar 25 12 14 ar 26 12 21 1 27 13 24 1 28 14 25 1 29 15 26 1 30 15 27 1 31 15 28 1 32 16 29 1 33 16 30 1 34 16 31 1 35 17 32 1 36 17 33 1 37 17 34 1 38 18 35 1 39 18 36 1 40 18 37 1 41 19 38 1 42 19 39 1 43 19 40 1 44 20 41 1 45 20 42 1 46 20 43 1 47 21 22 1 48 21 23 1