@MOLECULE a-ethyl-p-[2-[(a-methylphenethyl)amino]ethoxy]benzyl alcohol 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0161 -0.9301 1.0596 O.3 1 UNL1111111111 -0.3616 2 O 6.7400 -0.5448 -1.2567 O.3 1 UNL1111111111 -0.5632 3 N -2.2211 -2.1122 -0.0214 N.3 1 UNL1111111111 -0.5821 4 C -3.5546 -1.4841 0.1475 C.3 1 UNL1111111111 0.1020 5 C -3.5935 -0.2500 -0.7932 C.3 1 UNL1111111111 -0.3151 6 C -1.2049 -1.5964 0.9154 C.3 1 UNL1111111111 -0.1234 7 C -4.6539 -2.4864 -0.2297 C.3 1 UNL1111111111 -0.4826 8 C -4.7656 0.6177 -0.4676 C.ar 1 UNL1111111111 0.0194 9 C 0.1021 -1.4709 0.1029 C.3 1 UNL1111111111 -0.0405 10 C 6.3144 0.3911 -0.2725 C.3 1 UNL1111111111 0.1603 11 C 4.8989 0.0052 0.0508 C.ar 1 UNL1111111111 -0.1084 12 C 6.3985 1.8122 -0.8624 C.3 1 UNL1111111111 -0.3083 13 C -5.9137 0.5825 -1.2619 C.ar 1 UNL1111111111 -0.1832 14 C -4.7198 1.4623 0.6450 C.ar 1 UNL1111111111 -0.1839 15 C 2.2772 -0.6621 0.6339 C.ar 1 UNL1111111111 0.2668 16 C 4.4096 0.1799 1.3496 C.ar 1 UNL1111111111 -0.1001 17 C 4.0752 -0.5189 -0.9435 C.ar 1 UNL1111111111 -0.0537 18 C 3.0960 -0.1455 1.6519 C.ar 1 UNL1111111111 -0.2563 19 C 2.7535 -0.8602 -0.6612 C.ar 1 UNL1111111111 -0.3075 20 C 6.1453 2.8677 0.2082 C.3 1 UNL1111111111 -0.4352 21 C -7.0100 1.3796 -0.9397 C.ar 1 UNL1111111111 -0.1336 22 C -5.8174 2.2572 0.9643 C.ar 1 UNL1111111111 -0.1318 23 C -6.9650 2.2161 0.1737 C.ar 1 UNL1111111111 -0.1685 24 H -3.7205 -1.1423 1.2019 H 1 UNL1111111111 0.1199 25 H -3.6066 -0.5907 -1.8469 H 1 UNL1111111111 0.1615 26 H -2.6432 0.3164 -0.6983 H 1 UNL1111111111 0.1649 27 H -2.2700 -3.1258 0.0051 H 1 UNL1111111111 0.2657 28 H -1.0480 -2.2523 1.7963 H 1 UNL1111111111 0.1292 29 H -1.4837 -0.5971 1.3145 H 1 UNL1111111111 0.1514 30 H -5.6366 -1.9970 -0.2330 H 1 UNL1111111111 0.1613 31 H -4.4941 -2.9006 -1.2324 H 1 UNL1111111111 0.1582 32 H -4.7059 -3.3200 0.4773 H 1 UNL1111111111 0.1452 33 H 0.4679 -2.4479 -0.2507 H 1 UNL1111111111 0.1312 34 H -0.0150 -0.7755 -0.7456 H 1 UNL1111111111 0.1416 35 H 6.9866 0.2783 0.6088 H 1 UNL1111111111 0.1195 36 H 5.6642 1.9125 -1.6858 H 1 UNL1111111111 0.1554 37 H 7.3900 1.9655 -1.3267 H 1 UNL1111111111 0.1364 38 H -5.9528 -0.0676 -2.1330 H 1 UNL1111111111 0.1519 39 H -3.8243 1.4992 1.2614 H 1 UNL1111111111 0.1524 40 H 5.0609 0.5739 2.1289 H 1 UNL1111111111 0.1492 41 H 4.4741 -0.6688 -1.9497 H 1 UNL1111111111 0.1674 42 H 2.6931 -0.0131 2.6516 H 1 UNL1111111111 0.1700 43 H 2.1250 -1.2701 -1.4437 H 1 UNL1111111111 0.1660 44 H 5.1441 2.7587 0.6468 H 1 UNL1111111111 0.1542 45 H 6.2063 3.8792 -0.2099 H 1 UNL1111111111 0.1444 46 H 6.8737 2.8048 1.0239 H 1 UNL1111111111 0.1410 47 H -7.9033 1.3486 -1.5603 H 1 UNL1111111111 0.1465 48 H -5.7790 2.9125 1.8322 H 1 UNL1111111111 0.1472 49 H -7.8214 2.8368 0.4246 H 1 UNL1111111111 0.1477 50 H 7.6552 -0.3607 -1.5347 H 1 UNL1111111111 0.3112 @BOND 1 1 9 1 2 1 15 1 3 2 10 1 4 2 50 1 5 3 4 1 6 3 6 1 7 3 27 1 8 4 5 1 9 4 7 1 10 4 24 1 11 5 8 1 12 5 25 1 13 5 26 1 14 6 9 1 15 6 28 1 16 6 29 1 17 7 30 1 18 7 31 1 19 7 32 1 20 8 13 ar 21 8 14 ar 22 9 33 1 23 9 34 1 24 10 11 1 25 10 12 1 26 10 35 1 27 11 16 ar 28 11 17 ar 29 12 20 1 30 12 36 1 31 12 37 1 32 13 21 ar 33 13 38 1 34 14 22 ar 35 14 39 1 36 15 18 ar 37 15 19 ar 38 16 18 ar 39 16 40 1 40 17 19 ar 41 17 41 1 42 18 42 1 43 19 43 1 44 20 44 1 45 20 45 1 46 20 46 1 47 21 23 ar 48 21 47 1 49 22 23 ar 50 22 48 1 51 23 49 1