@MOLECULE 2-(3,5-di-tert-butyl-4-hydroxybenzylidene)cyclopent-4-ene-1,3-dione 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4083 0.0934 0.2745 O.3 1 UNL1111111111 -0.4897 2 O 4.8764 0.0012 -1.7998 O.2 1 UNL1111111111 -0.4069 3 O 1.9897 0.0089 1.8989 O.2 1 UNL1111111111 -0.3770 4 C -2.1946 2.5395 0.0006 C.3 1 UNL1111111111 0.1456 5 C -2.1634 -2.5573 0.0046 C.3 1 UNL1111111111 0.1302 6 C -1.4472 1.2393 -0.2166 C.ar 1 UNL1111111111 -0.0899 7 C -1.4464 -1.2408 -0.2140 C.ar 1 UNL1111111111 -0.1574 8 C -2.0935 -0.0044 -0.0505 C.ar 1 UNL1111111111 0.2658 9 C -0.1058 1.2157 -0.5777 C.ar 1 UNL1111111111 -0.1128 10 C -0.1005 -1.2093 -0.5788 C.ar 1 UNL1111111111 -0.1024 11 C -2.7203 2.5851 1.4468 C.3 1 UNL1111111111 -0.4586 12 C -1.2934 3.7739 -0.2080 C.3 1 UNL1111111111 -0.4671 13 C -3.3568 2.6316 -1.0044 C.3 1 UNL1111111111 -0.4595 14 C -1.2424 -3.7758 -0.2064 C.3 1 UNL1111111111 -0.4591 15 C -3.3242 -2.6878 -1.0005 C.3 1 UNL1111111111 -0.4669 16 C -2.6746 -2.6266 1.4571 C.3 1 UNL1111111111 -0.4653 17 C 0.5586 0.0021 -0.7641 C.ar 1 UNL1111111111 -0.1184 18 C 1.9667 0.0053 -1.1662 C.2 1 UNL1111111111 0.0725 19 C 2.9882 0.0082 -0.3050 C.2 1 UNL1111111111 -0.3397 20 C 4.4265 0.0078 -0.6877 C.2 1 UNL1111111111 0.4592 21 C 2.9484 0.0121 1.1814 C.2 1 UNL1111111111 0.4597 22 C 5.2144 0.0163 0.5927 C.2 1 UNL1111111111 -0.2156 23 C 4.3849 0.0195 1.6441 C.2 1 UNL1111111111 -0.2082 24 H 0.4514 2.1427 -0.7149 H 1 UNL1111111111 0.1638 25 H 0.4601 -2.1330 -0.7190 H 1 UNL1111111111 0.1605 26 H -1.9088 2.4217 2.1643 H 1 UNL1111111111 0.1484 27 H -3.1819 3.5514 1.6709 H 1 UNL1111111111 0.1415 28 H -3.4781 1.8143 1.6288 H 1 UNL1111111111 0.1611 29 H -1.8575 4.6974 -0.0359 H 1 UNL1111111111 0.1473 30 H -0.4498 3.7780 0.4904 H 1 UNL1111111111 0.1475 31 H -0.9028 3.8212 -1.2291 H 1 UNL1111111111 0.1436 32 H -3.8715 3.5938 -0.9262 H 1 UNL1111111111 0.1417 33 H -2.9993 2.5208 -2.0327 H 1 UNL1111111111 0.1428 34 H -4.1063 1.8502 -0.8315 H 1 UNL1111111111 0.1616 35 H -1.7864 -4.7116 -0.0354 H 1 UNL1111111111 0.1477 36 H -0.8499 -3.8150 -1.2281 H 1 UNL1111111111 0.1476 37 H -0.3952 -3.7654 0.4889 H 1 UNL1111111111 0.1517 38 H -2.9498 -2.6331 -2.0307 H 1 UNL1111111111 0.1568 39 H -3.8393 -3.6478 -0.8871 H 1 UNL1111111111 0.1499 40 H -4.0779 -1.9009 -0.8989 H 1 UNL1111111111 0.1401 41 H -3.1317 -3.5987 1.6705 H 1 UNL1111111111 0.1503 42 H -1.8437 -2.4889 2.1626 H 1 UNL1111111111 0.1628 43 H -3.4186 -1.8596 1.6944 H 1 UNL1111111111 0.1384 44 H 2.1457 0.0054 -2.2526 H 1 UNL1111111111 0.1702 45 H -3.8387 -0.7883 0.4310 H 1 UNL1111111111 0.3320 46 H 6.2897 0.0193 0.5724 H 1 UNL1111111111 0.1773 47 H 4.6160 0.0264 2.6944 H 1 UNL1111111111 0.1768 @BOND 1 1 8 1 2 1 45 1 3 2 20 2 4 3 21 2 5 4 6 1 6 4 11 1 7 4 12 1 8 4 13 1 9 5 7 1 10 5 14 1 11 5 15 1 12 5 16 1 13 6 8 ar 14 6 9 ar 15 7 8 ar 16 7 10 ar 17 9 17 ar 18 9 24 1 19 10 17 ar 20 10 25 1 21 11 26 1 22 11 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 41 1 37 16 42 1 38 16 43 1 39 17 18 1 40 18 19 2 41 18 44 1 42 19 20 1 43 19 21 1 44 20 22 1 45 21 23 1 46 22 23 2 47 22 46 1 48 23 47 1