@MOLECULE n-{2-[(1r,3r)-3-{[(2r)-3-(2-allylphenoxy)-2-hydroxypropyl]amino}-3-methylcyclohexyl]-2-propanyl}-2-bromoacetamide 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 BR -4.5751 -0.4007 0.9154 Br 1 UNL1111111111 -0.0683 2 O 5.6186 -0.7396 0.3744 O.3 1 UNL1111111111 -0.5684 3 O -2.9671 -0.4029 -2.2625 O.2 1 UNL1111111111 -0.5305 4 O 2.2490 -0.8342 0.9808 O.3 1 UNL1111111111 -0.4032 5 N 3.0690 1.7997 1.1936 N.3 1 UNL1111111111 -0.5763 6 N -1.7208 0.6328 -0.6680 N.am 1 UNL1111111111 -0.6183 7 C -0.1607 2.5608 -0.7866 C.3 1 UNL1111111111 -0.1410 8 C 2.0747 2.6410 0.4681 C.3 1 UNL1111111111 0.2519 9 C 1.0248 1.7503 -0.2524 C.3 1 UNL1111111111 -0.3477 10 C -0.8283 3.3153 0.3747 C.3 1 UNL1111111111 -0.2758 11 C -1.1683 1.6624 -1.5773 C.3 1 UNL1111111111 0.2975 12 C 1.3853 3.4950 1.5643 C.3 1 UNL1111111111 -0.2978 13 C 0.1817 4.2689 1.0230 C.3 1 UNL1111111111 -0.2626 14 C 2.8086 3.5445 -0.5354 C.3 1 UNL1111111111 -0.4688 15 C -2.3206 2.5243 -2.1293 C.3 1 UNL1111111111 -0.4886 16 C -0.4455 0.9842 -2.7568 C.3 1 UNL1111111111 -0.4870 17 C 3.9597 1.0099 0.3120 C.3 1 UNL1111111111 -0.1439 18 C 4.5315 -0.1857 1.1033 C.3 1 UNL1111111111 0.1194 19 C -2.6102 -0.3162 -1.1059 C.2 1 UNL1111111111 0.5936 20 C 3.5539 -1.3693 1.2264 C.3 1 UNL1111111111 -0.0683 21 C -3.1285 -1.2704 -0.0516 C.3 1 UNL1111111111 -0.3545 22 C 1.2855 -1.8028 0.8296 C.ar 1 UNL1111111111 0.1826 23 C 1.0194 -2.3335 -0.4373 C.ar 1 UNL1111111111 -0.0347 24 C 0.5232 -2.1314 1.9505 C.ar 1 UNL1111111111 -0.2088 25 C 1.8443 -1.9580 -1.6264 C.3 1 UNL1111111111 -0.2924 26 C -0.0426 -3.2313 -0.5592 C.ar 1 UNL1111111111 -0.1396 27 C -0.5282 -3.0312 1.8037 C.ar 1 UNL1111111111 -0.1375 28 C -0.8044 -3.5838 0.5533 C.ar 1 UNL1111111111 -0.1768 29 C 2.8178 -3.0537 -1.9433 C.2 1 UNL1111111111 -0.1143 30 C 4.1369 -2.8724 -1.9638 C.2 1 UNL1111111111 -0.3258 31 H 0.2252 3.3145 -1.5174 H 1 UNL1111111111 0.1487 32 H 1.5182 1.2053 -1.0779 H 1 UNL1111111111 0.1472 33 H 0.6782 0.9665 0.4469 H 1 UNL1111111111 0.1466 34 H -1.7033 3.8874 0.0133 H 1 UNL1111111111 0.1418 35 H -1.2207 2.6120 1.1306 H 1 UNL1111111111 0.1355 36 H 1.0612 2.8412 2.3967 H 1 UNL1111111111 0.1402 37 H 2.1280 4.1863 2.0047 H 1 UNL1111111111 0.1487 38 H 0.5108 5.0314 0.2928 H 1 UNL1111111111 0.1355 39 H -0.3017 4.8308 1.8442 H 1 UNL1111111111 0.1337 40 H 3.1889 2.9823 -1.3930 H 1 UNL1111111111 0.1439 41 H 2.1468 4.3261 -0.9213 H 1 UNL1111111111 0.1480 42 H 3.6611 4.0395 -0.0533 H 1 UNL1111111111 0.1574 43 H 2.5749 1.1713 1.8333 H 1 UNL1111111111 0.2672 44 H -2.9668 1.9287 -2.7928 H 1 UNL1111111111 0.1785 45 H -2.9641 2.9080 -1.3317 H 1 UNL1111111111 0.1523 46 H -1.9432 3.3705 -2.7081 H 1 UNL1111111111 0.1471 47 H 0.2669 0.2268 -2.4166 H 1 UNL1111111111 0.1489 48 H -1.1653 0.4675 -3.4110 H 1 UNL1111111111 0.1828 49 H 0.0900 1.7155 -3.3672 H 1 UNL1111111111 0.1480 50 H -1.4174 0.6707 0.2922 H 1 UNL1111111111 0.3154 51 H 4.7907 1.6777 -0.0080 H 1 UNL1111111111 0.1422 52 H 3.4660 0.6457 -0.6135 H 1 UNL1111111111 0.1369 53 H 4.9063 0.1369 2.1000 H 1 UNL1111111111 0.1332 54 H 3.7923 -2.1534 0.4783 H 1 UNL1111111111 0.1649 55 H 3.5591 -1.8120 2.2354 H 1 UNL1111111111 0.1307 56 H -2.3668 -1.5810 0.6811 H 1 UNL1111111111 0.1842 57 H -3.5438 -2.1765 -0.5293 H 1 UNL1111111111 0.1921 58 H 6.3505 -0.0976 0.3035 H 1 UNL1111111111 0.3208 59 H 0.7589 -1.6899 2.9152 H 1 UNL1111111111 0.1669 60 H 2.3687 -0.9917 -1.4494 H 1 UNL1111111111 0.1658 61 H 1.1917 -1.7726 -2.5109 H 1 UNL1111111111 0.1670 62 H -0.2759 -3.6603 -1.5337 H 1 UNL1111111111 0.1608 63 H -1.1287 -3.3089 2.6684 H 1 UNL1111111111 0.1524 64 H -1.6170 -4.2998 0.4452 H 1 UNL1111111111 0.1537 65 H 2.3599 -4.0183 -2.1584 H 1 UNL1111111111 0.1421 66 H 4.8411 -3.6553 -2.1976 H 1 UNL1111111111 0.1444 67 H 4.6258 -1.9331 -1.7418 H 1 UNL1111111111 0.1603 @BOND 1 1 21 1 2 2 18 1 3 2 58 1 4 3 19 2 5 4 20 1 6 4 22 1 7 5 8 1 8 5 17 1 9 5 43 1 10 6 11 1 11 6 19 am 12 6 50 1 13 7 9 1 14 7 10 1 15 7 11 1 16 7 31 1 17 8 9 1 18 8 12 1 19 8 14 1 20 9 32 1 21 9 33 1 22 10 13 1 23 10 34 1 24 10 35 1 25 11 15 1 26 11 16 1 27 12 13 1 28 12 36 1 29 12 37 1 30 13 38 1 31 13 39 1 32 14 40 1 33 14 41 1 34 14 42 1 35 15 44 1 36 15 45 1 37 15 46 1 38 16 47 1 39 16 48 1 40 16 49 1 41 17 18 1 42 17 51 1 43 17 52 1 44 18 20 1 45 18 53 1 46 19 21 1 47 20 54 1 48 20 55 1 49 21 56 1 50 21 57 1 51 22 23 ar 52 22 24 ar 53 23 25 1 54 23 26 ar 55 24 27 ar 56 24 59 1 57 25 29 1 58 25 60 1 59 25 61 1 60 26 28 ar 61 26 62 1 62 27 28 ar 63 27 63 1 64 28 64 1 65 29 30 2 66 29 65 1 67 30 66 1 68 30 67 1