@MOLECULE 4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.1132 0.9642 -0.0800 C.ar 1 UNL1111111111 -0.1581 2 C -2.7437 1.2166 -0.0028 C.ar 1 UNL1111111111 -0.1098 3 C -1.8399 0.1800 -0.2112 C.ar 1 UNL1111111111 -0.1949 4 C -2.3019 -1.1106 -0.4902 C.ar 1 UNL1111111111 0.0567 5 C -3.6749 -1.3575 -0.5609 C.ar 1 UNL1111111111 -0.2003 6 C -4.5809 -0.3222 -0.3503 C.ar 1 UNL1111111111 -0.0766 7 C -1.3241 -2.2250 -0.6837 C.3 1 UNL1111111111 -0.2924 8 C -0.9058 -2.7905 0.6827 C.3 1 UNL1111111111 -0.2770 9 C 0.3858 -3.6390 0.6035 C.3 1 UNL1111111111 0.0813 10 C 0.1511 -4.9233 -0.2054 C.3 1 UNL1111111111 -0.4699 11 N 1.4565 -2.8612 -0.0695 N.3 1 UNL1111111111 -0.5531 12 C 1.9504 -1.7408 0.7548 C.3 1 UNL1111111111 -0.2135 13 C 3.2298 -1.2118 0.1244 C.2 1 UNL1111111111 0.4613 14 O 4.0472 -1.9644 -0.3453 O.2 1 UNL1111111111 -0.4335 15 C 3.4252 0.2569 0.1044 C.ar 1 UNL1111111111 -0.1884 16 C 3.0283 1.0583 1.1761 C.ar 1 UNL1111111111 -0.0699 17 C 3.2307 2.4345 1.1302 C.ar 1 UNL1111111111 -0.2372 18 C 3.8317 2.9708 -0.0094 C.ar 1 UNL1111111111 0.2305 19 F 4.0230 4.2791 -0.0646 F 1 UNL1111111111 -0.1697 20 C 4.2412 2.1932 -1.0922 C.ar 1 UNL1111111111 -0.2412 21 C 4.0364 0.8184 -1.0203 C.ar 1 UNL1111111111 -0.0383 22 C -5.1167 2.0315 0.1617 C.2 1 UNL1111111111 0.5918 23 N -4.9185 3.2351 -0.4929 N.am 1 UNL1111111111 -0.6942 24 O -6.0870 1.8941 0.8788 O.2 1 UNL1111111111 -0.5150 25 H -2.3799 2.2161 0.2315 H 1 UNL1111111111 0.1524 26 H -0.7700 0.3713 -0.1571 H 1 UNL1111111111 0.1571 27 H -4.0374 -2.3615 -0.7724 H 1 UNL1111111111 0.1587 28 H -5.6559 -0.5118 -0.3854 H 1 UNL1111111111 0.1676 29 H -1.7418 -3.0298 -1.3179 H 1 UNL1111111111 0.1482 30 H -0.4211 -1.8721 -1.2343 H 1 UNL1111111111 0.1845 31 H -1.7235 -3.4062 1.1010 H 1 UNL1111111111 0.1401 32 H -0.7594 -1.9618 1.4015 H 1 UNL1111111111 0.1398 33 H 0.6795 -3.9206 1.6502 H 1 UNL1111111111 0.1075 34 H -0.0241 -4.6955 -1.2654 H 1 UNL1111111111 0.1641 35 H 1.0112 -5.5990 -0.1535 H 1 UNL1111111111 0.1454 36 H -0.7225 -5.4697 0.1643 H 1 UNL1111111111 0.1517 37 H 2.2302 -3.4610 -0.3639 H 1 UNL1111111111 0.2800 38 H 1.1578 -0.9562 0.7670 H 1 UNL1111111111 0.1671 39 H 2.1558 -2.0160 1.8139 H 1 UNL1111111111 0.1423 40 H 2.5671 0.6129 2.0585 H 1 UNL1111111111 0.1574 41 H 2.9310 3.0707 1.9609 H 1 UNL1111111111 0.1772 42 H 4.7122 2.6427 -1.9650 H 1 UNL1111111111 0.1798 43 H 4.3560 0.1700 -1.8421 H 1 UNL1111111111 0.1750 44 H -4.1667 3.3874 -1.1247 H 1 UNL1111111111 0.3033 45 H -5.5781 3.9782 -0.3776 H 1 UNL1111111111 0.3123 @BOND 1 1 6 ar 2 1 22 1 3 1 2 ar 4 2 3 ar 5 2 25 1 6 3 4 ar 7 3 26 1 8 4 5 ar 9 4 7 1 10 5 6 ar 11 5 27 1 12 6 28 1 13 7 8 1 14 7 29 1 15 7 30 1 16 8 9 1 17 8 31 1 18 8 32 1 19 9 11 1 20 9 10 1 21 9 33 1 22 10 34 1 23 10 35 1 24 10 36 1 25 11 12 1 26 11 37 1 27 12 13 1 28 12 38 1 29 12 39 1 30 13 15 1 31 13 14 2 32 15 21 ar 33 15 16 ar 34 16 17 ar 35 16 40 1 36 17 18 ar 37 17 41 1 38 18 19 1 39 18 20 ar 40 20 21 ar 41 20 42 1 42 21 43 1 43 22 24 2 44 22 23 am 45 23 44 1 46 23 45 1