@MOLECULE (4-{[(1s,2s)-2-{[allyl(cyclopropyl)amino]methyl}cyclopropyl]methoxy}phenyl)(4-bromophenyl)methanone 54 57 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.3821 -1.2748 -0.2651 C.ar 1 UNL1111111111 -0.1325 2 C 3.5156 -2.4739 -0.4521 C.2 1 UNL1111111111 0.4697 3 O 4.0091 -3.5527 -0.6844 O.2 1 UNL1111111111 -0.4285 4 C 2.0575 -2.2916 -0.3410 C.ar 1 UNL1111111111 -0.2496 5 C 1.2223 -3.2974 -0.8519 C.ar 1 UNL1111111111 -0.0022 6 C -0.1533 -3.1757 -0.7668 C.ar 1 UNL1111111111 -0.2839 7 C -0.6943 -2.0328 -0.1483 C.ar 1 UNL1111111111 0.3026 8 O -2.0444 -2.0355 -0.1305 O.3 1 UNL1111111111 -0.3334 9 C -2.7040 -0.9091 0.4668 C.3 1 UNL1111111111 -0.0356 10 C -4.1680 -1.2027 0.2539 C.3 1 UNL1111111111 -0.1842 11 C -5.0908 -1.3706 1.4412 C.3 1 UNL1111111111 -0.3359 12 C -9.0450 1.6482 1.9115 C.3 1 UNL1111111111 -0.3334 13 C -7.8827 0.8412 1.3682 C.3 1 UNL1111111111 0.0248 14 N -7.1641 1.2370 0.1731 N.3 1 UNL1111111111 -0.4173 15 C -6.3441 0.1038 -0.3385 C.3 1 UNL1111111111 -0.1079 16 C -8.0057 1.8012 -0.9101 C.3 1 UNL1111111111 -0.1316 17 C -7.1247 2.5347 -1.8825 C.2 1 UNL1111111111 -0.1119 18 C -7.3954 2.6042 -3.1846 C.2 1 UNL1111111111 -0.3466 19 C 0.1226 -1.0280 0.3788 C.ar 1 UNL1111111111 -0.3344 20 C 1.5026 -1.1695 0.2750 C.ar 1 UNL1111111111 -0.0145 21 C 5.3368 -1.2794 0.7506 C.ar 1 UNL1111111111 -0.0960 22 C 6.1576 -0.1671 0.9351 C.ar 1 UNL1111111111 -0.1639 23 C 6.0070 0.9206 0.0836 C.ar 1 UNL1111111111 -0.0034 24 BR 7.1207 2.4396 0.3293 Br 1 UNL1111111111 -0.0582 25 C 5.0707 0.9355 -0.9442 C.ar 1 UNL1111111111 -0.1634 26 C -5.1708 -0.1182 0.5965 C.3 1 UNL1111111111 -0.1618 27 C -9.2908 0.2568 1.3751 C.3 1 UNL1111111111 -0.3840 28 C 4.2500 -0.1779 -1.1162 C.ar 1 UNL1111111111 -0.1119 29 H 1.6733 -4.1804 -1.3174 H 1 UNL1111111111 0.1726 30 H -0.8193 -3.9398 -1.1599 H 1 UNL1111111111 0.1775 31 H -2.4233 -0.8549 1.5335 H 1 UNL1111111111 0.1358 32 H -2.3932 0.0130 -0.0601 H 1 UNL1111111111 0.1375 33 H -4.3409 -1.8320 -0.6305 H 1 UNL1111111111 0.1794 34 H -5.8852 -2.1106 1.3985 H 1 UNL1111111111 0.1618 35 H -4.6966 -1.3159 2.4515 H 1 UNL1111111111 0.1600 36 H -9.1012 1.8320 2.9811 H 1 UNL1111111111 0.1602 37 H -9.4240 2.5131 1.3768 H 1 UNL1111111111 0.1595 38 H -7.1647 0.4418 2.1088 H 1 UNL1111111111 0.1675 39 H -5.9531 0.3785 -1.3474 H 1 UNL1111111111 0.1548 40 H -6.9408 -0.8242 -0.4705 H 1 UNL1111111111 0.1272 41 H -8.6258 1.0292 -1.4165 H 1 UNL1111111111 0.1279 42 H -8.7194 2.5383 -0.4667 H 1 UNL1111111111 0.1580 43 H -6.2579 3.0199 -1.4303 H 1 UNL1111111111 0.1609 44 H -6.7848 3.1490 -3.8878 H 1 UNL1111111111 0.1486 45 H -8.2428 2.1305 -3.6537 H 1 UNL1111111111 0.1453 46 H -0.2938 -0.1529 0.8635 H 1 UNL1111111111 0.1656 47 H 2.1521 -0.3930 0.6868 H 1 UNL1111111111 0.1563 48 H 5.4454 -2.1543 1.3945 H 1 UNL1111111111 0.1701 49 H 6.9015 -0.1687 1.7318 H 1 UNL1111111111 0.1715 50 H 4.9695 1.7924 -1.6100 H 1 UNL1111111111 0.1708 51 H -4.8042 0.8246 1.0254 H 1 UNL1111111111 0.1758 52 H -9.8331 0.1275 0.4459 H 1 UNL1111111111 0.1578 53 H -9.5324 -0.5500 2.0586 H 1 UNL1111111111 0.1607 54 H 3.5097 -0.1913 -1.9173 H 1 UNL1111111111 0.1658 @BOND 1 1 2 1 2 1 21 ar 3 1 28 ar 4 2 3 2 5 2 4 1 6 4 5 ar 7 4 20 ar 8 5 6 ar 9 5 29 1 10 6 7 ar 11 6 30 1 12 7 8 1 13 7 19 ar 14 8 9 1 15 9 10 1 16 9 31 1 17 9 32 1 18 10 11 1 19 10 26 1 20 10 33 1 21 11 26 1 22 11 34 1 23 11 35 1 24 12 13 1 25 12 27 1 26 12 36 1 27 12 37 1 28 13 14 1 29 13 27 1 30 13 38 1 31 14 15 1 32 14 16 1 33 15 26 1 34 15 39 1 35 15 40 1 36 16 17 1 37 16 41 1 38 16 42 1 39 17 18 2 40 17 43 1 41 18 44 1 42 18 45 1 43 19 20 ar 44 19 46 1 45 20 47 1 46 21 22 ar 47 21 48 1 48 22 23 ar 49 22 49 1 50 23 24 1 51 23 25 ar 52 25 28 ar 53 25 50 1 54 26 51 1 55 27 52 1 56 27 53 1 57 28 54 1