@MOLECULE 4-benzoylphenylalanine 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.1216 1.0883 0.1568 C.ar 1 UNL1111111111 -0.1644 2 C -2.5796 1.2777 -0.0471 C.2 1 UNL1111111111 0.4550 3 C -4.7125 0.1381 0.4820 C.ar 1 UNL1111111111 -0.0861 4 C 1.1330 1.8128 -0.3032 C.ar 1 UNL1111111111 -0.2057 5 C -0.2402 1.9666 -0.4743 C.ar 1 UNL1111111111 -0.0712 6 C -3.8477 -2.2098 -0.7563 C.ar 1 UNL1111111111 -0.1647 7 C -5.1119 -2.1512 -0.1689 C.ar 1 UNL1111111111 -0.1150 8 O -3.0480 2.3848 -0.1734 O.2 1 UNL1111111111 -0.4198 9 O 5.9712 -0.0185 -0.3733 O.2 1 UNL1111111111 -0.4941 10 C -3.0096 -1.0984 -0.7173 C.ar 1 UNL1111111111 -0.1105 11 C -3.4423 0.0715 -0.0916 C.ar 1 UNL1111111111 -0.1517 12 N 3.4067 -0.3370 -1.6727 N.3 1 UNL1111111111 -0.6319 13 C -5.5446 -0.9791 0.4491 C.ar 1 UNL1111111111 -0.1672 14 C 1.6242 0.7902 0.5113 C.ar 1 UNL1111111111 0.0457 15 C 0.7374 -0.0717 1.1632 C.ar 1 UNL1111111111 -0.1903 16 C -0.6342 0.0769 0.9853 C.ar 1 UNL1111111111 -0.0951 17 C 3.0988 0.6028 0.6746 C.3 1 UNL1111111111 -0.3549 18 CA 3.5820 -0.5568 -0.2320 C.3 1 UNL1111111111 0.0030 19 C 5.0754 -0.7219 0.0055 C.2 1 UNL1111111111 0.6254 20 H -5.0493 1.0665 0.9480 H 1 UNL1111111111 0.1680 21 H 1.8187 2.4989 -0.7963 H 1 UNL1111111111 0.1585 22 H -0.6351 2.7745 -1.0959 H 1 UNL1111111111 0.1716 23 H -3.5165 -3.1237 -1.2455 H 1 UNL1111111111 0.1535 24 H -5.7637 -3.0231 -0.1964 H 1 UNL1111111111 0.1488 25 H -2.0226 -1.1412 -1.1788 H 1 UNL1111111111 0.1573 26 H1 2.4355 -0.2131 -1.9173 H 1 UNL1111111111 0.2666 27 H -6.5336 -0.9336 0.9013 H 1 UNL1111111111 0.1545 28 H 1.1180 -0.8596 1.8108 H 1 UNL1111111111 0.1604 29 H -1.3266 -0.5941 1.4964 H 1 UNL1111111111 0.1608 30 H 3.6571 1.5325 0.4369 H 1 UNL1111111111 0.1708 31 H 3.3504 0.3833 1.7343 H 1 UNL1111111111 0.1723 32 HA 3.0377 -1.5052 0.0397 H 1 UNL1111111111 0.1840 33 OXT 5.3013 -1.8046 0.7886 O.3 1 UNL1111111111 -0.5578 34 HXT 6.2590 -1.9751 0.9690 H 1 UNL1111111111 0.3566 35 H2 3.9433 0.4486 -2.0137 H 1 UNL1111111111 0.2672 @BOND 1 1 2 1 2 2 8 2 3 2 11 1 4 3 13 ar 5 3 20 1 6 4 5 ar 7 4 21 1 8 5 1 ar 9 5 22 1 10 6 7 ar 11 6 23 1 12 7 13 ar 13 7 24 1 14 9 19 2 15 10 11 ar 16 10 6 ar 17 10 25 1 18 11 3 ar 19 12 18 1 20 12 26 1 21 12 35 1 22 13 27 1 23 14 15 ar 24 14 4 ar 25 15 16 ar 26 15 28 1 27 16 1 ar 28 16 29 1 29 17 14 1 30 17 30 1 31 17 31 1 32 18 17 1 33 18 32 1 34 19 18 1 35 19 33 1 36 33 34 1