@MOLECULE 4-[4-(2-pentanylamino)phenoxy]phenol 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1394 1.6631 0.3425 O.3 1 UNL111111111 -0.3046 2 O 6.0144 -2.1637 -0.0825 O.3 1 UNL111111111 -0.4758 3 N -3.0776 0.0677 -0.5918 N.pl3 1 UNL111111111 -0.5682 4 C -4.2241 0.4988 0.2177 C.3 1 UNL111111111 0.1168 5 C -5.4127 -0.4553 -0.0355 C.3 1 UNL111111111 -0.3090 6 C -5.0711 -1.9076 0.3168 C.3 1 UNL111111111 -0.2439 7 C -4.6501 1.9416 -0.1137 C.3 1 UNL111111111 -0.4968 8 C -1.7903 0.5325 -0.3631 C.ar 1 UNL111111111 0.2493 9 C -6.2761 -2.8215 0.1025 C.3 1 UNL111111111 -0.4412 10 C -0.7782 0.1175 -1.2630 C.ar 1 UNL111111111 -0.2683 11 C -1.4529 1.3240 0.7518 C.ar 1 UNL111111111 -0.2743 12 C 0.5403 0.4703 -1.0346 C.ar 1 UNL111111111 -0.1384 13 C -0.1262 1.6659 0.9852 C.ar 1 UNL111111111 -0.1234 14 C 0.8480 1.2314 0.0918 C.ar 1 UNL111111111 0.1017 15 C 3.0876 0.6705 0.2301 C.ar 1 UNL111111111 0.1491 16 C 2.9080 -0.5919 0.8065 C.ar 1 UNL111111111 -0.1723 17 C 4.2575 1.0330 -0.4368 C.ar 1 UNL111111111 -0.1500 18 C 3.9227 -1.5301 0.6923 C.ar 1 UNL111111111 -0.2002 19 C 5.2811 0.0940 -0.5495 C.ar 1 UNL111111111 -0.2672 20 C 5.0883 -1.1718 0.0047 C.ar 1 UNL111111111 0.2479 21 H -3.9267 0.4352 1.2984 H 1 UNL111111111 0.1426 22 H -5.7437 -0.3878 -1.0882 H 1 UNL111111111 0.1426 23 H -6.2751 -0.1185 0.5722 H 1 UNL111111111 0.1479 24 H -4.2189 -2.2575 -0.2987 H 1 UNL111111111 0.1442 25 H -4.7252 -1.9737 1.3661 H 1 UNL111111111 0.1389 26 H -3.2938 -0.3099 -1.5001 H 1 UNL111111111 0.3032 27 H -3.8261 2.6471 0.0496 H 1 UNL111111111 0.1615 28 H -4.9589 2.0448 -1.1579 H 1 UNL111111111 0.1528 29 H -5.4867 2.2602 0.5149 H 1 UNL111111111 0.1518 30 H -7.1202 -2.5365 0.7406 H 1 UNL111111111 0.1416 31 H -6.6241 -2.7968 -0.9361 H 1 UNL111111111 0.1419 32 H -6.0233 -3.8622 0.3407 H 1 UNL111111111 0.1435 33 H -1.0354 -0.4913 -2.1235 H 1 UNL111111111 0.1578 34 H -2.2175 1.6642 1.4403 H 1 UNL111111111 0.1604 35 H 1.3277 0.1589 -1.7186 H 1 UNL111111111 0.1663 36 H 0.1552 2.2653 1.8495 H 1 UNL111111111 0.1663 37 H 1.9793 -0.8266 1.3274 H 1 UNL111111111 0.1740 38 H 4.3551 2.0301 -0.8621 H 1 UNL111111111 0.1711 39 H 3.8296 -2.5272 1.1174 H 1 UNL111111111 0.1760 40 H 6.2006 0.3468 -1.0645 H 1 UNL111111111 0.1599 41 H 6.8215 -1.8821 -0.5739 H 1 UNL111111111 0.3246 @BOND 1 1 14 1 2 1 15 1 3 2 20 1 4 2 41 1 5 3 4 1 6 3 8 1 7 3 26 1 8 4 5 1 9 4 7 1 10 4 21 1 11 5 6 1 12 5 22 1 13 5 23 1 14 6 9 1 15 6 24 1 16 6 25 1 17 7 27 1 18 7 28 1 19 7 29 1 20 8 10 ar 21 8 11 ar 22 9 30 1 23 9 31 1 24 9 32 1 25 10 12 ar 26 10 33 1 27 11 13 ar 28 11 34 1 29 12 14 ar 30 12 35 1 31 13 14 ar 32 13 36 1 33 15 16 ar 34 15 17 ar 35 16 18 ar 36 16 37 1 37 17 19 ar 38 17 38 1 39 18 20 ar 40 18 39 1 41 19 20 ar 42 19 40 1