@MOLECULE 4,5-dimethyl-3-pentadecyl-1,2-benzenediol 65 65 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0493 0.5113 0.5710 O.3 1 UNL1111111111 -0.4375 2 O 2.2765 3.0682 0.1297 O.3 1 UNL1111111111 -0.4227 3 C -1.5699 -1.7161 -0.4452 C.3 1 UNL1111111111 -0.2714 4 C -0.5411 -2.5627 0.3148 C.3 1 UNL1111111111 -0.2752 5 C -2.8884 -1.6372 0.3343 C.3 1 UNL1111111111 -0.2712 6 C 0.7681 -2.6571 -0.4790 C.3 1 UNL1111111111 -0.2754 7 C -3.9076 -0.7697 -0.4151 C.3 1 UNL1111111111 -0.2726 8 C 1.8637 -3.3245 0.3605 C.3 1 UNL1111111111 -0.2739 9 C -5.2287 -0.6927 0.3603 C.3 1 UNL1111111111 -0.2724 10 C 3.1989 -3.4129 -0.3915 C.3 1 UNL1111111111 -0.2742 11 C -6.2453 0.1795 -0.3872 C.3 1 UNL1111111111 -0.2720 12 C 3.8239 -2.0452 -0.6876 C.3 1 UNL1111111111 -0.2655 13 C -7.5682 0.2540 0.3857 C.3 1 UNL1111111111 -0.2750 14 C 4.2709 -1.3168 0.5911 C.3 1 UNL1111111111 -0.2740 15 C -8.5834 1.1292 -0.3601 C.3 1 UNL1111111111 -0.2721 16 C 4.4425 0.1453 0.3159 C.ar 1 UNL1111111111 -0.1026 17 C -9.9079 1.2043 0.4111 C.3 1 UNL1111111111 -0.2512 18 C 5.6973 0.7139 0.0407 C.ar 1 UNL1111111111 -0.0184 19 C 3.3087 0.9601 0.3323 C.ar 1 UNL1111111111 0.1581 20 C 5.8096 2.0933 -0.1665 C.ar 1 UNL1111111111 0.0246 21 C -10.9201 2.0803 -0.3275 C.3 1 UNL1111111111 -0.4399 22 C 3.4276 2.3447 0.1031 C.ar 1 UNL1111111111 0.1943 23 C 6.9119 -0.1540 -0.0192 C.3 1 UNL1111111111 -0.4381 24 C 4.6729 2.9086 -0.1365 C.ar 1 UNL1111111111 -0.2908 25 C 7.1337 2.7347 -0.4238 C.3 1 UNL1111111111 -0.4415 26 H -1.1697 -0.6969 -0.6133 H 1 UNL1111111111 0.1458 27 H -1.7471 -2.1422 -1.4495 H 1 UNL1111111111 0.1347 28 H -0.9439 -3.5748 0.5039 H 1 UNL1111111111 0.1350 29 H -0.3545 -2.1193 1.3105 H 1 UNL1111111111 0.1376 30 H -2.7070 -1.2203 1.3429 H 1 UNL1111111111 0.1385 31 H -3.2973 -2.6517 0.4931 H 1 UNL1111111111 0.1327 32 H 0.6057 -3.2269 -1.4131 H 1 UNL1111111111 0.1386 33 H 1.0858 -1.6470 -0.8042 H 1 UNL1111111111 0.1416 34 H -3.4981 0.2469 -0.5678 H 1 UNL1111111111 0.1406 35 H -4.0850 -1.1807 -1.4260 H 1 UNL1111111111 0.1347 36 H 1.9965 -2.7848 1.3169 H 1 UNL1111111111 0.1334 37 H 1.5388 -4.3441 0.6461 H 1 UNL1111111111 0.1360 38 H -5.6384 -1.7081 0.5119 H 1 UNL1111111111 0.1345 39 H -5.0505 -0.2832 1.3722 H 1 UNL1111111111 0.1371 40 H 3.9091 -4.0284 0.1928 H 1 UNL1111111111 0.1342 41 H 3.0481 -3.9585 -1.3444 H 1 UNL1111111111 0.1378 42 H -5.8354 1.1962 -0.5349 H 1 UNL1111111111 0.1376 43 H -6.4211 -0.2270 -1.4004 H 1 UNL1111111111 0.1356 44 H 3.1115 -1.4167 -1.2574 H 1 UNL1111111111 0.1484 45 H 4.6932 -2.1689 -1.3622 H 1 UNL1111111111 0.1386 46 H -7.9790 -0.7621 0.5319 H 1 UNL1111111111 0.1355 47 H -7.3918 0.6590 1.3995 H 1 UNL1111111111 0.1365 48 H 5.2021 -1.7709 0.9836 H 1 UNL1111111111 0.1535 49 H 3.5386 -1.4723 1.4123 H 1 UNL1111111111 0.1476 50 H -8.1734 2.1458 -0.5054 H 1 UNL1111111111 0.1368 51 H -8.7595 0.7259 -1.3745 H 1 UNL1111111111 0.1360 52 H -9.7317 1.6050 1.4271 H 1 UNL1111111111 0.1336 53 H -10.3207 0.1879 0.5537 H 1 UNL1111111111 0.1331 54 H -11.8684 2.1375 0.2177 H 1 UNL1111111111 0.1394 55 H -10.5486 3.1037 -0.4509 H 1 UNL1111111111 0.1423 56 H -11.1374 1.6858 -1.3262 H 1 UNL1111111111 0.1420 57 H 7.3429 -0.2917 0.9835 H 1 UNL1111111111 0.1556 58 H 6.6921 -1.1502 -0.4279 H 1 UNL1111111111 0.1544 59 H 7.7002 0.2659 -0.6579 H 1 UNL1111111111 0.1524 60 H 4.7648 3.9773 -0.3031 H 1 UNL1111111111 0.1605 61 H 7.8668 2.4683 0.3513 H 1 UNL1111111111 0.1562 62 H 7.5454 2.4211 -1.3945 H 1 UNL1111111111 0.1560 63 H 7.0759 3.8310 -0.4414 H 1 UNL1111111111 0.1510 64 H 2.0130 -0.4821 0.6125 H 1 UNL1111111111 0.3248 65 H 2.4598 4.0296 -0.0144 H 1 UNL1111111111 0.3105 @BOND 1 1 19 1 2 1 64 1 3 2 22 1 4 2 65 1 5 3 4 1 6 3 5 1 7 3 26 1 8 3 27 1 9 4 6 1 10 4 28 1 11 4 29 1 12 5 7 1 13 5 30 1 14 5 31 1 15 6 8 1 16 6 32 1 17 6 33 1 18 7 9 1 19 7 34 1 20 7 35 1 21 8 10 1 22 8 36 1 23 8 37 1 24 9 11 1 25 9 38 1 26 9 39 1 27 10 12 1 28 10 40 1 29 10 41 1 30 11 13 1 31 11 42 1 32 11 43 1 33 12 14 1 34 12 44 1 35 12 45 1 36 13 15 1 37 13 46 1 38 13 47 1 39 14 16 1 40 14 48 1 41 14 49 1 42 15 17 1 43 15 50 1 44 15 51 1 45 16 18 ar 46 16 19 ar 47 17 21 1 48 17 52 1 49 17 53 1 50 18 20 ar 51 18 23 1 52 19 22 ar 53 20 24 ar 54 20 25 1 55 21 54 1 56 21 55 1 57 21 56 1 58 22 24 ar 59 23 57 1 60 23 58 1 61 23 59 1 62 24 60 1 63 25 61 1 64 25 62 1 65 25 63 1