@MOLECULE n~2~-{4-[(3-fluorobenzyl)oxy]benzyl}-d-alaninamide 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 F -7.7418 -0.6397 0.0285 F 1 UNL111111111 -0.1740 2 O -1.8738 0.1080 -0.0987 O.3 1 UNL111111111 -0.3376 3 O 7.4297 1.2750 -0.2940 O.2 1 UNL111111111 -0.5555 4 N 4.3485 -0.3330 0.5552 N.3 1 UNL111111111 -0.5801 5 N 5.3400 1.6631 -1.0285 N.am 1 UNL111111111 -0.6663 6 C 3.5794 -1.2816 -0.2815 C.3 1 UNL111111111 -0.1052 7 C 5.8069 -0.3921 0.3324 C.3 1 UNL111111111 -0.0011 8 C 2.1126 -0.9422 -0.2185 C.ar 1 UNL111111111 -0.0892 9 C 6.5820 -0.5652 1.6404 C.3 1 UNL111111111 -0.4696 10 C 1.6895 0.3748 0.0010 C.ar 1 UNL111111111 -0.0812 11 C 1.1684 -1.9471 -0.4182 C.ar 1 UNL111111111 -0.1040 12 C -0.5957 -0.3455 -0.1647 C.ar 1 UNL111111111 0.2541 13 C 0.3400 0.6836 0.0326 C.ar 1 UNL111111111 -0.2461 14 C -0.1971 -1.6603 -0.3951 C.ar 1 UNL111111111 -0.2918 15 C 6.2654 0.9283 -0.3262 C.2 1 UNL111111111 0.5706 16 C -2.9304 -0.8374 -0.2723 C.3 1 UNL111111111 -0.0595 17 C -4.1960 -0.0576 -0.0584 C.ar 1 UNL111111111 0.0295 18 C -5.4135 -0.7384 -0.1222 C.ar 1 UNL111111111 -0.2571 19 C -4.1665 1.3129 0.2042 C.ar 1 UNL111111111 -0.1764 20 C -6.5797 -0.0047 0.0849 C.ar 1 UNL111111111 0.2140 21 C -5.3531 2.0164 0.4073 C.ar 1 UNL111111111 -0.0954 22 C -6.5822 1.3633 0.3504 C.ar 1 UNL111111111 -0.2319 23 H 3.7497 -2.3412 0.0156 H 1 UNL111111111 0.1246 24 H 3.9259 -1.1885 -1.3399 H 1 UNL111111111 0.1542 25 H 6.0886 -1.2139 -0.3794 H 1 UNL111111111 0.1515 26 H 4.1048 -0.4262 1.5380 H 1 UNL111111111 0.2782 27 H 6.3825 -1.5329 2.1098 H 1 UNL111111111 0.1475 28 H 7.6677 -0.4972 1.4578 H 1 UNL111111111 0.1824 29 H 6.3453 0.2262 2.3635 H 1 UNL111111111 0.1609 30 H 2.4290 1.1629 0.1602 H 1 UNL111111111 0.1670 31 H 1.4904 -2.9732 -0.5942 H 1 UNL111111111 0.1490 32 H -0.0055 1.6996 0.2076 H 1 UNL111111111 0.1730 33 H -0.9168 -2.4552 -0.5526 H 1 UNL111111111 0.1622 34 H -2.8253 -1.6503 0.4727 H 1 UNL111111111 0.1475 35 H -2.8747 -1.2520 -1.2983 H 1 UNL111111111 0.1475 36 H -5.4515 -1.8060 -0.3254 H 1 UNL111111111 0.1747 37 H -3.2133 1.8424 0.2531 H 1 UNL111111111 0.1762 38 H 4.3650 1.4428 -0.9743 H 1 UNL111111111 0.3190 39 H 5.5999 2.5314 -1.4466 H 1 UNL111111111 0.3070 40 H -5.3179 3.0867 0.6129 H 1 UNL111111111 0.1564 41 H -7.5119 1.9068 0.5071 H 1 UNL111111111 0.1747 @BOND 1 39 5 1 2 24 6 1 3 35 16 1 4 5 38 1 5 5 15 am 6 31 11 1 7 33 14 1 8 11 14 ar 9 11 8 ar 10 14 12 ar 11 25 7 1 12 15 3 2 13 15 7 1 14 36 18 1 15 6 8 1 16 6 23 1 17 6 4 1 18 16 2 1 19 16 17 1 20 16 34 1 21 8 10 ar 22 12 2 1 23 12 13 ar 24 18 17 ar 25 18 20 ar 26 17 19 ar 27 10 13 ar 28 10 30 1 29 1 20 1 30 13 32 1 31 20 22 ar 32 19 37 1 33 19 21 ar 34 7 4 1 35 7 9 1 36 22 21 ar 37 22 41 1 38 21 40 1 39 4 26 1 40 28 9 1 41 9 27 1 42 9 29 1