@MOLECULE 1-(2-allylphenoxy)-3-((8-amino-p-menthane-1-yl)amino)-2-propanol 62 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7671 -3.3491 2.4811 O.3 1 UNL1111111111 -0.5580 2 O 1.6103 -1.3166 0.8445 O.3 1 UNL1111111111 -0.3534 3 N -1.8164 -1.7529 0.3648 N.3 1 UNL1111111111 -0.5788 4 N -0.6029 2.5385 1.1446 N.3 1 UNL1111111111 -0.6800 5 C -2.1137 1.6282 -0.6834 C.3 1 UNL1111111111 -0.1590 6 C -2.5883 -1.3282 -0.8227 C.3 1 UNL1111111111 0.2547 7 C -3.0651 0.9103 0.2907 C.3 1 UNL1111111111 -0.2625 8 C -1.0393 0.6454 -1.1777 C.3 1 UNL1111111111 -0.2749 9 C -3.6839 -0.3397 -0.3447 C.3 1 UNL1111111111 -0.3027 10 C -1.6766 -0.5865 -1.8288 C.3 1 UNL1111111111 -0.2877 11 C -1.4590 2.8855 -0.0153 C.3 1 UNL1111111111 0.2514 12 C -3.2747 -2.5159 -1.5388 C.3 1 UNL1111111111 -0.5196 13 C -0.6146 3.6477 -1.0579 C.3 1 UNL1111111111 -0.4863 14 C -2.5563 3.8367 0.5078 C.3 1 UNL1111111111 -0.4621 15 C -0.7814 -2.7714 0.1157 C.3 1 UNL1111111111 -0.1557 16 C 0.0572 -2.9555 1.3976 C.3 1 UNL1111111111 0.1305 17 C 0.6792 -1.6323 1.8839 C.3 1 UNL1111111111 -0.0580 18 C 2.0515 -0.0299 0.8047 C.ar 1 UNL1111111111 0.2262 19 C 2.4632 0.3951 -0.4732 C.ar 1 UNL1111111111 -0.0780 20 C 2.1556 0.7970 1.9209 C.ar 1 UNL1111111111 -0.2782 21 C 2.3293 -0.5167 -1.6508 C.3 1 UNL1111111111 -0.2787 22 C 2.9946 1.6734 -0.6024 C.ar 1 UNL1111111111 -0.1228 23 C 2.6938 2.0740 1.7621 C.ar 1 UNL1111111111 -0.0919 24 C 3.1082 2.5123 0.5081 C.ar 1 UNL1111111111 -0.2103 25 C 3.3871 -1.5774 -1.6125 C.2 1 UNL1111111111 -0.0806 26 C 4.1132 -1.9179 -2.6762 C.2 1 UNL1111111111 -0.3582 27 H -2.7046 1.9824 -1.5591 H 1 UNL1111111111 0.1362 28 H -2.5195 0.6183 1.2099 H 1 UNL1111111111 0.1483 29 H -3.8712 1.5945 0.6131 H 1 UNL1111111111 0.1345 30 H -0.3633 1.1390 -1.8979 H 1 UNL1111111111 0.1299 31 H -0.4059 0.3159 -0.3278 H 1 UNL1111111111 0.1583 32 H -4.3586 -0.8330 0.3769 H 1 UNL1111111111 0.1335 33 H -4.3142 -0.0519 -1.2056 H 1 UNL1111111111 0.1413 34 H -2.2759 -0.2841 -2.7071 H 1 UNL1111111111 0.1386 35 H -0.8926 -1.2613 -2.2140 H 1 UNL1111111111 0.1322 36 H -2.5417 -3.1942 -1.9842 H 1 UNL1111111111 0.1488 37 H -3.9251 -2.1674 -2.3467 H 1 UNL1111111111 0.1528 38 H -3.8923 -3.0948 -0.8470 H 1 UNL1111111111 0.1460 39 H -2.4205 -2.0363 1.1335 H 1 UNL1111111111 0.2710 40 H -1.2248 3.9554 -1.9110 H 1 UNL1111111111 0.1467 41 H 0.2164 3.0446 -1.4371 H 1 UNL1111111111 0.1471 42 H -0.1808 4.5522 -0.6140 H 1 UNL1111111111 0.1559 43 H -3.0735 3.4095 1.3739 H 1 UNL1111111111 0.1516 44 H -3.2923 4.0663 -0.2643 H 1 UNL1111111111 0.1347 45 H -2.1107 4.7768 0.8545 H 1 UNL1111111111 0.1533 46 H -0.8903 1.6735 1.5757 H 1 UNL1111111111 0.2541 47 H 0.3705 2.4537 0.8922 H 1 UNL1111111111 0.2577 48 H -0.1086 -2.4157 -0.6993 H 1 UNL1111111111 0.1612 49 H -1.1975 -3.7482 -0.2083 H 1 UNL1111111111 0.1119 50 H 0.8412 -3.7304 1.2437 H 1 UNL1111111111 0.1263 51 H 1.2252 -1.7645 2.8326 H 1 UNL1111111111 0.1405 52 H -0.0874 -0.8423 1.9824 H 1 UNL1111111111 0.1586 53 H -1.2199 -4.1900 2.2838 H 1 UNL1111111111 0.3161 54 H 1.8384 0.4592 2.9026 H 1 UNL1111111111 0.1685 55 H 2.3602 0.0540 -2.6021 H 1 UNL1111111111 0.1515 56 H 1.3249 -1.0068 -1.6379 H 1 UNL1111111111 0.1693 57 H 3.3288 2.0242 -1.5782 H 1 UNL1111111111 0.1532 58 H 2.7838 2.7314 2.6264 H 1 UNL1111111111 0.1529 59 H 3.5240 3.5098 0.3905 H 1 UNL1111111111 0.1544 60 H 3.5141 -2.0574 -0.6406 H 1 UNL1111111111 0.1522 61 H 4.8694 -2.6857 -2.6559 H 1 UNL1111111111 0.1430 62 H 4.0163 -1.4591 -3.6461 H 1 UNL1111111111 0.1427 @BOND 1 1 16 1 2 1 53 1 3 2 17 1 4 2 18 1 5 3 6 1 6 3 15 1 7 3 39 1 8 4 11 1 9 4 46 1 10 4 47 1 11 5 7 1 12 5 8 1 13 5 11 1 14 5 27 1 15 6 9 1 16 6 10 1 17 6 12 1 18 7 9 1 19 7 28 1 20 7 29 1 21 8 10 1 22 8 30 1 23 8 31 1 24 9 32 1 25 9 33 1 26 10 34 1 27 10 35 1 28 11 13 1 29 11 14 1 30 12 36 1 31 12 37 1 32 12 38 1 33 13 40 1 34 13 41 1 35 13 42 1 36 14 43 1 37 14 44 1 38 14 45 1 39 15 16 1 40 15 48 1 41 15 49 1 42 16 17 1 43 16 50 1 44 17 51 1 45 17 52 1 46 18 19 ar 47 18 20 ar 48 19 21 1 49 19 22 ar 50 20 23 ar 51 20 54 1 52 21 25 1 53 21 55 1 54 21 56 1 55 22 24 ar 56 22 57 1 57 23 24 ar 58 23 58 1 59 24 59 1 60 25 26 2 61 25 60 1 62 26 61 1 63 26 62 1