@MOLECULE 4-methyl-3-pentadecyl-1,2-benzenediol 62 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8844 1.5379 -0.0658 O.3 1 UNL1111111111 -0.4283 2 O 4.2496 3.7220 -0.4478 O.3 1 UNL1111111111 -0.4251 3 C -1.6465 -1.3808 -0.4744 C.3 1 UNL1111111111 -0.2704 4 C -0.5835 -2.2478 0.2114 C.3 1 UNL1111111111 -0.2765 5 C -2.9698 -1.4327 0.2996 C.3 1 UNL1111111111 -0.2734 6 C 0.7373 -2.2013 -0.5668 C.3 1 UNL1111111111 -0.2668 7 C -4.0314 -0.5624 -0.3849 C.3 1 UNL1111111111 -0.2728 8 C 1.8054 -3.0461 0.1374 C.3 1 UNL1111111111 -0.2716 9 C -5.3567 -0.6165 0.3855 C.3 1 UNL1111111111 -0.2721 10 C 3.1317 -3.0620 -0.6335 C.3 1 UNL1111111111 -0.2716 11 C -6.4168 0.2556 -0.2993 C.3 1 UNL1111111111 -0.2719 12 C 3.7699 -1.6775 -0.7955 C.3 1 UNL1111111111 -0.2624 13 C -7.7433 0.2004 0.4690 C.3 1 UNL1111111111 -0.2748 14 C 4.0784 -1.0195 0.5595 C.3 1 UNL1111111111 -0.2693 15 C -8.8038 1.0704 -0.2174 C.3 1 UNL1111111111 -0.2720 16 C 4.8850 0.2228 0.3510 C.ar 1 UNL1111111111 -0.1227 17 C -10.1324 1.0150 0.5485 C.3 1 UNL1111111111 -0.2511 18 C 6.2883 0.2172 0.4299 C.ar 1 UNL1111111111 0.0233 19 C 4.2319 1.4187 0.0500 C.ar 1 UNL1111111111 0.1794 20 C -11.1916 1.8813 -0.1334 C.3 1 UNL1111111111 -0.4398 21 C 7.0060 1.3930 0.2236 C.ar 1 UNL1111111111 -0.1751 22 C 4.9683 2.6043 -0.1588 C.ar 1 UNL1111111111 0.1801 23 C 7.0300 -1.0416 0.7349 C.3 1 UNL1111111111 -0.4440 24 C 6.3537 2.5916 -0.0705 C.ar 1 UNL1111111111 -0.2515 25 H -1.2932 -0.3351 -0.5498 H 1 UNL1111111111 0.1399 26 H -1.8026 -1.7242 -1.5141 H 1 UNL1111111111 0.1361 27 H -0.9397 -3.2919 0.2908 H 1 UNL1111111111 0.1354 28 H -0.4262 -1.9027 1.2500 H 1 UNL1111111111 0.1365 29 H -2.8143 -1.0913 1.3400 H 1 UNL1111111111 0.1368 30 H -3.3261 -2.4768 0.3730 H 1 UNL1111111111 0.1345 31 H 0.5840 -2.5689 -1.5986 H 1 UNL1111111111 0.1380 32 H 1.0781 -1.1543 -0.6691 H 1 UNL1111111111 0.1340 33 H -3.6764 0.4830 -0.4544 H 1 UNL1111111111 0.1385 34 H -4.1849 -0.9009 -1.4265 H 1 UNL1111111111 0.1363 35 H 1.9661 -2.6762 1.1670 H 1 UNL1111111111 0.1358 36 H 1.4397 -4.0863 0.2522 H 1 UNL1111111111 0.1339 37 H -5.7127 -1.6612 0.4546 H 1 UNL1111111111 0.1355 38 H -5.2035 -0.2782 1.4272 H 1 UNL1111111111 0.1365 39 H 3.8429 -3.7393 -0.1219 H 1 UNL1111111111 0.1329 40 H 2.9693 -3.5048 -1.6360 H 1 UNL1111111111 0.1372 41 H -6.0613 1.3007 -0.3666 H 1 UNL1111111111 0.1373 42 H -6.5687 -0.0812 -1.3416 H 1 UNL1111111111 0.1362 43 H 3.1182 -1.0192 -1.4013 H 1 UNL1111111111 0.1421 44 H 4.7062 -1.7706 -1.3814 H 1 UNL1111111111 0.1424 45 H -8.0977 -0.8447 0.5382 H 1 UNL1111111111 0.1358 46 H -7.5919 0.5395 1.5108 H 1 UNL1111111111 0.1364 47 H 4.6089 -1.7373 1.2175 H 1 UNL1111111111 0.1558 48 H 3.1365 -0.7982 1.1068 H 1 UNL1111111111 0.1428 49 H -8.4509 2.1162 -0.2857 H 1 UNL1111111111 0.1369 50 H -8.9547 0.7334 -1.2597 H 1 UNL1111111111 0.1363 51 H -9.9822 1.3527 1.5913 H 1 UNL1111111111 0.1335 52 H -10.4864 -0.0309 0.6166 H 1 UNL1111111111 0.1332 53 H -11.3821 1.5473 -1.1593 H 1 UNL1111111111 0.1422 54 H -10.8804 2.9309 -0.1808 H 1 UNL1111111111 0.1424 55 H -12.1435 1.8440 0.4073 H 1 UNL1111111111 0.1397 56 H 8.0921 1.3845 0.2898 H 1 UNL1111111111 0.1540 57 H 6.8369 -1.3770 1.7649 H 1 UNL1111111111 0.1574 58 H 6.7352 -1.8579 0.0595 H 1 UNL1111111111 0.1581 59 H 8.1175 -0.9250 0.6359 H 1 UNL1111111111 0.1517 60 H 6.9271 3.4997 -0.2292 H 1 UNL1111111111 0.1586 61 H 2.4277 0.6679 0.0776 H 1 UNL1111111111 0.3180 62 H 4.8448 4.5020 -0.5761 H 1 UNL1111111111 0.3120 @BOND 1 1 19 1 2 1 61 1 3 2 22 1 4 2 62 1 5 3 4 1 6 3 5 1 7 3 25 1 8 3 26 1 9 4 6 1 10 4 27 1 11 4 28 1 12 5 7 1 13 5 29 1 14 5 30 1 15 6 8 1 16 6 31 1 17 6 32 1 18 7 9 1 19 7 33 1 20 7 34 1 21 8 10 1 22 8 35 1 23 8 36 1 24 9 11 1 25 9 37 1 26 9 38 1 27 10 12 1 28 10 39 1 29 10 40 1 30 11 13 1 31 11 41 1 32 11 42 1 33 12 14 1 34 12 43 1 35 12 44 1 36 13 15 1 37 13 45 1 38 13 46 1 39 14 16 1 40 14 47 1 41 14 48 1 42 15 17 1 43 15 49 1 44 15 50 1 45 16 18 ar 46 16 19 ar 47 17 20 1 48 17 51 1 49 17 52 1 50 18 21 ar 51 18 23 1 52 19 22 ar 53 20 53 1 54 20 54 1 55 20 55 1 56 21 24 ar 57 21 56 1 58 22 24 ar 59 23 57 1 60 23 58 1 61 23 59 1 62 24 60 1