@MOLECULE 4-[(2-bromo-2-methylpropanoyl)amino]-l-phenylalanine 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.8864 1.9711 -0.0420 N.3 1 UNL11111111 -0.6278 2 CA -4.7677 0.5380 -0.3294 C.3 1 UNL11111111 0.0091 3 C -4.1906 -0.2124 0.8935 C.3 1 UNL11111111 -0.2781 4 C -2.6935 -0.2058 0.8398 C.ar 1 UNL11111111 -0.0362 5 C -1.9929 -1.3894 0.6110 C.ar 1 UNL11111111 -0.1251 6 C -0.6022 -1.3896 0.5472 C.ar 1 UNL11111111 -0.2020 7 C 0.0927 -0.1867 0.7090 C.ar 1 UNL11111111 0.2008 8 N 1.5104 -0.1155 0.6746 N.am 1 UNL11111111 -0.5659 9 C 2.3022 -1.0177 -0.0189 C.2 1 UNL11111111 0.5472 10 C 3.8179 -0.7743 0.0176 C.3 1 UNL11111111 0.0508 11 C 4.4914 -1.6300 -1.0347 C.3 1 UNL11111111 -0.4571 12 BR 4.1379 1.1320 -0.4526 Br 1 UNL11111111 -0.1412 13 C 4.3574 -1.0357 1.4087 C.3 1 UNL11111111 -0.4690 14 O 1.8423 -1.9741 -0.5987 O.2 1 UNL11111111 -0.4849 15 C -0.6066 1.0103 0.9452 C.ar 1 UNL11111111 -0.2437 16 C -1.9930 0.9923 1.0075 C.ar 1 UNL11111111 -0.1008 17 C -6.1276 -0.0609 -0.6795 C.2 1 UNL11111111 0.5710 18 O -5.9971 -1.3218 -1.1524 O.3 1 UNL11111111 -0.5530 19 OXT -7.2033 0.4677 -0.5841 O.2 1 UNL11111111 -0.5143 20 H1 -5.1396 2.5078 -0.8580 H 1 UNL11111111 0.2622 21 H2 -5.5505 2.1645 0.6940 H 1 UNL11111111 0.2635 22 HA -4.0752 0.4031 -1.2093 H 1 UNL11111111 0.1885 23 H -4.5409 0.2580 1.8368 H 1 UNL11111111 0.1627 24 H -4.5787 -1.2530 0.9200 H 1 UNL11111111 0.1635 25 H -2.5309 -2.3277 0.4747 H 1 UNL11111111 0.1564 26 H -0.0702 -2.3245 0.3653 H 1 UNL11111111 0.1881 27 H 1.9215 0.7032 1.1111 H 1 UNL11111111 0.3206 28 H 4.1102 -1.4298 -2.0486 H 1 UNL11111111 0.1764 29 H 5.5801 -1.4972 -1.0556 H 1 UNL11111111 0.1626 30 H 4.2918 -2.7000 -0.8529 H 1 UNL11111111 0.1784 31 H 4.1721 -2.0805 1.7083 H 1 UNL11111111 0.1732 32 H 5.4454 -0.8839 1.4660 H 1 UNL11111111 0.1720 33 H 3.9034 -0.4008 2.1808 H 1 UNL11111111 0.1628 34 H -0.0710 1.9483 1.0642 H 1 UNL11111111 0.1570 35 H -2.5476 1.9211 1.1668 H 1 UNL11111111 0.1754 36 H -6.8544 -1.7481 -1.4033 H 1 UNL11111111 0.3569 @BOND 1 1 2 1 2 1 20 1 3 1 21 1 4 2 17 1 5 2 22 1 6 3 2 1 7 3 23 1 8 3 24 1 9 4 16 ar 10 4 3 1 11 5 4 ar 12 5 25 1 13 6 7 ar 14 6 5 ar 15 6 26 1 16 7 15 ar 17 8 7 1 18 8 27 1 19 9 8 am 20 9 14 2 21 10 9 1 22 10 12 1 23 11 10 1 24 11 28 1 25 11 29 1 26 11 30 1 27 13 10 1 28 13 31 1 29 13 32 1 30 13 33 1 31 15 16 ar 32 15 34 1 33 16 35 1 34 17 18 1 35 18 36 1 36 19 17 2