@MOLECULE 2,2,9,9-tetramethyl-1,10-decanediol 46 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.5240 1.9427 0.0905 O.3 1 UNL1111111111 -0.5447 2 O 5.8649 1.6955 -0.3156 O.3 1 UNL1111111111 -0.5461 3 C -4.5100 -0.2883 -0.0536 C.3 1 UNL1111111111 0.0537 4 C 4.4516 -0.2738 0.0465 C.3 1 UNL1111111111 0.0514 5 C -3.1317 0.2561 0.3788 C.3 1 UNL1111111111 -0.2959 6 C 3.0825 -0.8664 -0.3529 C.3 1 UNL1111111111 -0.2987 7 C -1.9521 -0.5980 -0.1024 C.3 1 UNL1111111111 -0.2684 8 C 1.8855 -0.1011 0.2218 C.3 1 UNL1111111111 -0.2715 9 C -0.6258 0.0462 0.3207 C.3 1 UNL1111111111 -0.2744 10 C 0.5673 -0.7573 -0.2114 C.3 1 UNL1111111111 -0.2697 11 C -5.6056 0.6163 0.5652 C.3 1 UNL1111111111 -0.0280 12 C 4.5734 1.1596 -0.5154 C.3 1 UNL1111111111 -0.0228 13 C -4.6601 -0.2608 -1.5776 C.3 1 UNL1111111111 -0.4545 14 C -4.7290 -1.7125 0.4737 C.3 1 UNL1111111111 -0.4649 15 C 5.5570 -1.1423 -0.5726 C.3 1 UNL1111111111 -0.4594 16 C 4.6170 -0.2547 1.5719 C.3 1 UNL1111111111 -0.4636 17 H -3.0120 1.2863 -0.0108 H 1 UNL1111111111 0.1345 18 H -3.0977 0.3352 1.4825 H 1 UNL1111111111 0.1367 19 H 3.0062 -0.8999 -1.4570 H 1 UNL1111111111 0.1410 20 H 3.0379 -1.9224 -0.0217 H 1 UNL1111111111 0.1434 21 H -2.0244 -1.6211 0.3103 H 1 UNL1111111111 0.1383 22 H -1.9845 -0.7102 -1.2024 H 1 UNL1111111111 0.1403 23 H 1.9410 -0.0730 1.3259 H 1 UNL1111111111 0.1384 24 H 1.9043 0.9528 -0.1123 H 1 UNL1111111111 0.1366 25 H -0.5741 1.0862 -0.0531 H 1 UNL1111111111 0.1378 26 H -0.5741 0.1154 1.4230 H 1 UNL1111111111 0.1356 27 H 0.5187 -1.7979 0.1582 H 1 UNL1111111111 0.1353 28 H 0.5176 -0.8228 -1.3144 H 1 UNL1111111111 0.1379 29 H -5.5571 0.6266 1.6671 H 1 UNL1111111111 0.1122 30 H -6.6180 0.3092 0.2441 H 1 UNL1111111111 0.1426 31 H 3.8374 1.8470 -0.0642 H 1 UNL1111111111 0.1142 32 H 4.4706 1.1789 -1.6160 H 1 UNL1111111111 0.1414 33 H -3.8831 -0.8472 -2.0765 H 1 UNL1111111111 0.1424 34 H -4.6037 0.7679 -1.9581 H 1 UNL1111111111 0.1584 35 H -5.6294 -0.6637 -1.8915 H 1 UNL1111111111 0.1460 36 H -5.7532 -2.0560 0.2910 H 1 UNL1111111111 0.1462 37 H -4.0607 -2.4263 -0.0214 H 1 UNL1111111111 0.1511 38 H -4.5423 -1.7788 1.5502 H 1 UNL1111111111 0.1450 39 H 5.5816 -2.1418 -0.1291 H 1 UNL1111111111 0.1420 40 H 6.5445 -0.6849 -0.4265 H 1 UNL1111111111 0.1594 41 H 5.4218 -1.2574 -1.6533 H 1 UNL1111111111 0.1461 42 H 5.6449 -0.0129 1.8632 H 1 UNL1111111111 0.1421 43 H 3.9535 0.4763 2.0456 H 1 UNL1111111111 0.1447 44 H 4.3850 -1.2349 2.0050 H 1 UNL1111111111 0.1510 45 H -4.6510 2.3332 0.2917 H 1 UNL1111111111 0.3079 46 H 6.1105 1.6599 0.6291 H 1 UNL1111111111 0.3091 @BOND 1 1 11 1 2 1 45 1 3 2 12 1 4 2 46 1 5 3 5 1 6 3 11 1 7 3 13 1 8 3 14 1 9 4 6 1 10 4 12 1 11 4 15 1 12 4 16 1 13 5 7 1 14 5 17 1 15 5 18 1 16 6 8 1 17 6 19 1 18 6 20 1 19 7 9 1 20 7 21 1 21 7 22 1 22 8 10 1 23 8 23 1 24 8 24 1 25 9 10 1 26 9 25 1 27 9 26 1 28 10 27 1 29 10 28 1 30 11 29 1 31 11 30 1 32 12 31 1 33 12 32 1 34 13 33 1 35 13 34 1 36 13 35 1 37 14 36 1 38 14 37 1 39 14 38 1 40 15 39 1 41 15 40 1 42 15 41 1 43 16 42 1 44 16 43 1 45 16 44 1