@MOLECULE (1r,4r)-4-benzyl-4-[3-(dimethylamino)propoxy]cycloheptanol 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6094 -0.4073 1.0038 O.3 1 UNL1111111111 -0.4278 2 O 1.8956 3.4978 0.2000 O.3 1 UNL1111111111 -0.5964 3 N 3.9654 -1.1166 -0.5017 N.3 1 UNL1111111111 -0.3906 4 C -0.5905 -0.1417 0.3063 C.3 1 UNL1111111111 0.3044 5 C -1.0267 1.2413 0.8460 C.3 1 UNL1111111111 -0.2903 6 C -0.4261 -0.1417 -1.2255 C.3 1 UNL1111111111 -0.3335 7 C 0.1197 2.1952 1.1883 C.3 1 UNL1111111111 -0.3142 8 C 0.7817 0.6424 -1.7445 C.3 1 UNL1111111111 -0.2624 9 C 1.2446 2.2290 0.1466 C.3 1 UNL1111111111 0.1773 10 C -1.6437 -1.2211 0.7150 C.3 1 UNL1111111111 -0.3759 11 C 0.7851 2.1089 -1.3090 C.3 1 UNL1111111111 -0.2944 12 C -3.0231 -0.8822 0.2532 C.ar 1 UNL1111111111 0.0314 13 C 1.2718 -1.6304 0.7055 C.3 1 UNL1111111111 -0.0314 14 C 2.5718 -1.5640 1.5136 C.3 1 UNL1111111111 -0.2940 15 C -3.9069 -0.2104 1.1021 C.ar 1 UNL1111111111 -0.1829 16 C -3.4435 -1.2440 -1.0297 C.ar 1 UNL1111111111 -0.1857 17 C 3.6070 -0.6342 0.8556 C.3 1 UNL1111111111 -0.1224 18 C -5.1866 0.1209 0.6633 C.ar 1 UNL1111111111 -0.1303 19 C -4.7233 -0.9111 -1.4660 C.ar 1 UNL1111111111 -0.1319 20 C -5.5953 -0.2241 -0.6233 C.ar 1 UNL1111111111 -0.1683 21 C 4.8647 -2.2885 -0.4379 C.3 1 UNL1111111111 -0.2808 22 C 4.6028 -0.0294 -1.2789 C.3 1 UNL1111111111 -0.2866 23 H -1.6375 1.1010 1.7600 H 1 UNL1111111111 0.1418 24 H -1.7019 1.7105 0.1041 H 1 UNL1111111111 0.1496 25 H -0.3534 -1.1843 -1.5912 H 1 UNL1111111111 0.1385 26 H -1.3521 0.2681 -1.6773 H 1 UNL1111111111 0.1509 27 H 0.5475 1.9083 2.1693 H 1 UNL1111111111 0.1420 28 H -0.2907 3.2183 1.3115 H 1 UNL1111111111 0.1463 29 H 1.7188 0.1451 -1.4111 H 1 UNL1111111111 0.1617 30 H 0.7981 0.5851 -2.8505 H 1 UNL1111111111 0.1316 31 H 2.0230 1.4604 0.3843 H 1 UNL1111111111 0.1230 32 H -1.6058 -1.3353 1.8180 H 1 UNL1111111111 0.1647 33 H -1.3352 -2.2068 0.3156 H 1 UNL1111111111 0.1554 34 H -0.2066 2.5724 -1.4499 H 1 UNL1111111111 0.1479 35 H 1.4772 2.6969 -1.9481 H 1 UNL1111111111 0.1549 36 H 1.4749 -1.7068 -0.3781 H 1 UNL1111111111 0.1459 37 H 0.6421 -2.4754 1.0306 H 1 UNL1111111111 0.1069 38 H 2.1333 3.7350 1.1107 H 1 UNL1111111111 0.3114 39 H 2.3502 -1.1903 2.5338 H 1 UNL1111111111 0.1511 40 H 2.9820 -2.5823 1.6339 H 1 UNL1111111111 0.1402 41 H -3.5975 0.0544 2.1109 H 1 UNL1111111111 0.1521 42 H -2.7718 -1.7881 -1.6902 H 1 UNL1111111111 0.1517 43 H 4.4896 -0.5220 1.5187 H 1 UNL1111111111 0.1123 44 H 3.1463 0.3817 0.7557 H 1 UNL1111111111 0.1517 45 H -5.8675 0.6494 1.3274 H 1 UNL1111111111 0.1462 46 H -5.0441 -1.1892 -2.4676 H 1 UNL1111111111 0.1456 47 H -6.5926 0.0379 -0.9676 H 1 UNL1111111111 0.1464 48 H 4.3518 -3.1101 0.0873 H 1 UNL1111111111 0.1419 49 H 5.8245 -2.1002 0.0646 H 1 UNL1111111111 0.1164 50 H 5.0706 -2.6391 -1.4624 H 1 UNL1111111111 0.1418 51 H 3.8927 0.8108 -1.3764 H 1 UNL1111111111 0.1531 52 H 5.5363 0.3559 -0.8442 H 1 UNL1111111111 0.1199 53 H 4.8146 -0.3925 -2.2974 H 1 UNL1111111111 0.1439 @BOND 1 1 4 1 2 1 13 1 3 2 9 1 4 2 38 1 5 3 17 1 6 3 21 1 7 3 22 1 8 4 5 1 9 4 6 1 10 4 10 1 11 5 7 1 12 5 23 1 13 5 24 1 14 6 8 1 15 6 25 1 16 6 26 1 17 7 9 1 18 7 27 1 19 7 28 1 20 8 11 1 21 8 29 1 22 8 30 1 23 9 11 1 24 9 31 1 25 10 12 1 26 10 32 1 27 10 33 1 28 11 34 1 29 11 35 1 30 12 15 ar 31 12 16 ar 32 13 14 1 33 13 36 1 34 13 37 1 35 14 17 1 36 14 39 1 37 14 40 1 38 15 18 ar 39 15 41 1 40 16 19 ar 41 16 42 1 42 17 43 1 43 17 44 1 44 18 20 ar 45 18 45 1 46 19 20 ar 47 19 46 1 48 20 47 1 49 21 48 1 50 21 49 1 51 21 50 1 52 22 51 1 53 22 52 1 54 22 53 1