@MOLECULE 3-benzyl-4-[4-(methylamino)butoxy]phenol 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4697 0.4389 0.7191 O.3 1 UNL11111111111 -0.3567 2 O 3.8692 3.5450 -0.4845 O.3 1 UNL11111111111 -0.4724 3 N -6.4882 0.1025 -0.3375 N.3 1 UNL11111111111 -0.5255 4 C -2.7338 0.0036 0.3493 C.3 1 UNL11111111111 -0.2947 5 C -4.1239 0.5981 0.1183 C.3 1 UNL11111111111 -0.2864 6 C -1.7270 1.1240 0.6184 C.3 1 UNL11111111111 -0.0370 7 C 1.5040 0.7500 -0.5330 C.ar 1 UNL11111111111 0.0298 8 C -5.1553 -0.5161 -0.1332 C.3 1 UNL11111111111 -0.1133 9 C 1.2408 -0.5381 -1.2478 C.3 1 UNL11111111111 -0.2950 10 C 0.6087 1.2357 0.4291 C.ar 1 UNL11111111111 0.1246 11 C 1.9387 -1.6710 -0.5529 C.ar 1 UNL11111111111 0.0278 12 C 2.6376 1.5034 -0.8360 C.ar 1 UNL11111111111 -0.2980 13 C 0.8303 2.4380 1.1036 C.ar 1 UNL11111111111 -0.1668 14 C 2.8222 2.7260 -0.1905 C.ar 1 UNL11111111111 0.2648 15 C 1.9438 3.2040 0.7888 C.ar 1 UNL11111111111 -0.2182 16 C 1.2636 -2.3946 0.4321 C.ar 1 UNL11111111111 -0.1663 17 C 3.2479 -2.0196 -0.8900 C.ar 1 UNL11111111111 -0.1747 18 C -7.5206 -0.9177 -0.6116 C.3 1 UNL11111111111 -0.2762 19 C 1.8750 -3.4875 1.0412 C.ar 1 UNL11111111111 -0.1365 20 C 3.8610 -3.1075 -0.2686 C.ar 1 UNL11111111111 -0.1383 21 C 3.1742 -3.8504 0.6894 C.ar 1 UNL11111111111 -0.1629 22 H -2.4087 -0.5914 -0.5268 H 1 UNL11111111111 0.1517 23 H -2.7414 -0.7058 1.2021 H 1 UNL11111111111 0.1550 24 H -4.1035 1.2991 -0.7368 H 1 UNL11111111111 0.1376 25 H -4.4439 1.1989 0.9931 H 1 UNL11111111111 0.1567 26 H -1.7026 1.8653 -0.1990 H 1 UNL11111111111 0.1261 27 H -1.9128 1.6334 1.5812 H 1 UNL11111111111 0.1254 28 H -4.8384 -1.1513 -0.9867 H 1 UNL11111111111 0.1110 29 H -5.2219 -1.1794 0.7584 H 1 UNL11111111111 0.1432 30 H 1.5599 -0.4669 -2.3095 H 1 UNL11111111111 0.1581 31 H 0.1426 -0.7315 -1.2919 H 1 UNL11111111111 0.1725 32 H 3.3584 1.1396 -1.5607 H 1 UNL11111111111 0.1646 33 H 0.1329 2.7696 1.8707 H 1 UNL11111111111 0.1637 34 H -6.4549 0.7838 -1.0933 H 1 UNL11111111111 0.2480 35 H 2.1449 4.1520 1.2789 H 1 UNL11111111111 0.1753 36 H 0.2573 -2.0958 0.7259 H 1 UNL11111111111 0.1624 37 H 3.7913 -1.4465 -1.6365 H 1 UNL11111111111 0.1476 38 H -7.3293 -1.5312 -1.5044 H 1 UNL11111111111 0.1154 39 H -7.6154 -1.5901 0.2577 H 1 UNL11111111111 0.1477 40 H -8.4916 -0.4118 -0.7350 H 1 UNL11111111111 0.1457 41 H 1.3347 -4.0596 1.7928 H 1 UNL11111111111 0.1476 42 H 4.8786 -3.3791 -0.5376 H 1 UNL11111111111 0.1446 43 H 3.6492 -4.7073 1.1606 H 1 UNL11111111111 0.1472 44 H 4.4429 3.1660 -1.1928 H 1 UNL11111111111 0.3248 @BOND 1 1 6 1 2 1 10 1 3 2 14 1 4 2 44 1 5 3 8 1 6 3 18 1 7 3 34 1 8 4 5 1 9 4 6 1 10 4 22 1 11 4 23 1 12 5 8 1 13 5 24 1 14 5 25 1 15 6 26 1 16 6 27 1 17 7 9 1 18 7 10 ar 19 7 12 ar 20 8 28 1 21 8 29 1 22 9 11 1 23 9 30 1 24 9 31 1 25 10 13 ar 26 11 16 ar 27 11 17 ar 28 12 14 ar 29 12 32 1 30 13 15 ar 31 13 33 1 32 14 15 ar 33 15 35 1 34 16 19 ar 35 16 36 1 36 17 20 ar 37 17 37 1 38 18 38 1 39 18 39 1 40 18 40 1 41 19 21 ar 42 19 41 1 43 20 21 ar 44 20 42 1 45 21 43 1