@MOLECULE 2-propanamine, n-((4-(dodecyloxy)phenyl)methylene)-2-methyl-, n-oxide 65 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.2215 -1.3618 -0.5873 O.3 1 UNL1 -0.3482 2 O -7.0199 0.9987 -1.4076 O.3 1 UNL1 -0.4850 3 N -7.3208 0.6673 -0.2470 N.4 1 UNL1 0.3023 4 C 6.0354 -0.3825 -0.3568 C.3 1 UNL1 -0.2736 5 C 7.2148 0.1188 0.4864 C.3 1 UNL1 -0.2722 6 C 4.7640 -0.4925 0.4943 C.3 1 UNL1 -0.2739 7 C 8.4872 0.2072 -0.3661 C.3 1 UNL1 -0.2720 8 C 3.5744 -0.9390 -0.3652 C.3 1 UNL1 -0.2693 9 C 9.6733 0.6992 0.4731 C.3 1 UNL1 -0.2747 10 C 2.2943 -1.0133 0.4772 C.3 1 UNL1 -0.2689 11 C 10.9508 0.7483 -0.3746 C.3 1 UNL1 -0.2720 12 C 1.0929 -1.3641 -0.4046 C.3 1 UNL1 -0.2947 13 C 12.1445 1.2235 0.4642 C.3 1 UNL1 -0.2511 14 C -0.1997 -1.3139 0.4139 C.3 1 UNL1 -0.0416 15 C -8.7329 1.0219 0.1831 C.3 1 UNL1 0.1948 16 C 13.4192 1.2685 -0.3788 C.3 1 UNL1 -0.4398 17 C -9.4287 1.7715 -0.9574 C.3 1 UNL1 -0.4603 18 C -9.4782 -0.2843 0.4852 C.3 1 UNL1 -0.4808 19 C -8.6519 1.9189 1.4247 C.3 1 UNL1 -0.4809 20 C -2.4801 -1.0191 -0.2095 C.ar 1 UNL1 0.2548 21 C -6.5026 0.0446 0.5777 C.3 1 UNL1 -0.2643 22 C -5.1301 -0.3221 0.2665 C.ar 1 UNL1 -0.0451 23 C -2.9265 -0.9092 1.1080 C.ar 1 UNL1 -0.3006 24 C -3.3405 -0.8010 -1.2958 C.ar 1 UNL1 -0.2511 25 C -4.2551 -0.5610 1.3341 C.ar 1 UNL1 -0.0956 26 C -4.6596 -0.4520 -1.0492 C.ar 1 UNL1 -0.0703 27 H 5.8634 0.3021 -1.2084 H 1 UNL1 0.1378 28 H 6.2785 -1.3653 -0.8019 H 1 UNL1 0.1368 29 H 7.3811 -0.5564 1.3461 H 1 UNL1 0.1359 30 H 6.9789 1.1088 0.9189 H 1 UNL1 0.1364 31 H 4.9235 -1.2062 1.3234 H 1 UNL1 0.1353 32 H 4.5431 0.4815 0.9698 H 1 UNL1 0.1368 33 H 8.7183 -0.7824 -0.8030 H 1 UNL1 0.1366 34 H 8.3229 0.8864 -1.2233 H 1 UNL1 0.1369 35 H 3.7847 -1.9224 -0.8252 H 1 UNL1 0.1378 36 H 3.4335 -0.2339 -1.2067 H 1 UNL1 0.1399 37 H 9.4546 1.6999 0.8894 H 1 UNL1 0.1363 38 H 9.8229 0.0340 1.3439 H 1 UNL1 0.1361 39 H 2.4129 -1.7643 1.2803 H 1 UNL1 0.1364 40 H 2.1254 -0.0445 0.9859 H 1 UNL1 0.1389 41 H 11.1624 -0.2510 -0.7985 H 1 UNL1 0.1365 42 H 10.8063 1.4195 -1.2416 H 1 UNL1 0.1367 43 H 1.2180 -2.3629 -0.8632 H 1 UNL1 0.1509 44 H 1.0149 -0.6569 -1.2563 H 1 UNL1 0.1604 45 H 12.2891 0.5523 1.3317 H 1 UNL1 0.1334 46 H 11.9354 2.2239 0.8875 H 1 UNL1 0.1335 47 H -0.2838 -0.3796 0.9955 H 1 UNL1 0.1283 48 H -0.3176 -2.1872 1.0762 H 1 UNL1 0.1250 49 H 13.6638 0.2819 -0.7877 H 1 UNL1 0.1423 50 H 14.2775 1.6001 0.2157 H 1 UNL1 0.1399 51 H 13.3165 1.9593 -1.2231 H 1 UNL1 0.1424 52 H -8.8877 2.6911 -1.2235 H 1 UNL1 0.1714 53 H -9.4603 1.1673 -1.8759 H 1 UNL1 0.1722 54 H -10.4540 2.0422 -0.6911 H 1 UNL1 0.1480 55 H -9.0381 -0.8386 1.3217 H 1 UNL1 0.1566 56 H -9.4817 -0.9539 -0.3864 H 1 UNL1 0.1676 57 H -10.5249 -0.0831 0.7431 H 1 UNL1 0.1602 58 H -8.2137 1.4084 2.2892 H 1 UNL1 0.1555 59 H -8.0475 2.8163 1.2324 H 1 UNL1 0.1676 60 H -9.6511 2.2602 1.7216 H 1 UNL1 0.1606 61 H -6.8554 -0.2097 1.5780 H 1 UNL1 0.1712 62 H -2.2666 -1.0950 1.9465 H 1 UNL1 0.1572 63 H -2.9636 -0.9006 -2.3105 H 1 UNL1 0.1727 64 H -4.6127 -0.4696 2.3584 H 1 UNL1 0.1438 65 H -5.3355 -0.2723 -1.8906 H 1 UNL1 0.1826 @BOND 1 63 24 1 2 65 26 1 3 53 17 1 4 2 3 1 5 24 26 ar 6 24 20 ar 7 44 12 1 8 42 11 1 9 52 17 1 10 34 7 1 11 51 16 1 12 27 4 1 13 36 8 1 14 26 22 ar 15 17 54 1 16 17 15 1 17 43 12 1 18 35 8 1 19 33 7 1 20 28 4 1 21 41 11 1 22 49 16 1 23 1 20 1 24 1 14 1 25 12 14 1 26 12 10 1 27 56 18 1 28 16 50 1 29 16 13 1 30 11 13 1 31 11 9 1 32 7 9 1 33 7 5 1 34 8 10 1 35 8 6 1 36 4 5 1 37 4 6 1 38 3 15 1 39 3 21 1 40 20 23 ar 41 15 18 1 42 15 19 1 43 22 21 1 44 22 25 ar 45 14 47 1 46 14 48 1 47 13 46 1 48 13 45 1 49 9 37 1 50 9 38 1 51 10 40 1 52 10 39 1 53 18 57 1 54 18 55 1 55 5 30 1 56 5 29 1 57 6 32 1 58 6 31 1 59 21 61 1 60 23 25 ar 61 23 62 1 62 59 19 1 63 25 64 1 64 19 60 1 65 19 58 1