@MOLECULE 4-[(n-acetyl-l-tyrosyl)amino]benzoic acid 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7091 1.8651 1.2978 O.2 1 UNL1111111111 -0.5064 2 O 0.3627 -5.1229 -0.0997 O.3 1 UNL1111111111 -0.4718 3 O 4.6074 1.8744 -1.4709 O.2 1 UNL1111111111 -0.5354 4 O -6.0629 1.4361 0.8596 O.3 1 UNL1111111111 -0.5647 5 O -6.3478 0.1445 -0.9261 O.2 1 UNL1111111111 -0.5136 6 N 3.2033 2.1322 0.2837 N.am 1 UNL1111111111 -0.6225 7 N 0.0672 0.5536 -0.4646 N.am 1 UNL1111111111 -0.5569 8 C 2.4795 0.8993 -0.0122 C.3 1 UNL1111111111 0.0247 9 C 3.0143 -0.2657 0.8527 C.3 1 UNL1111111111 -0.3032 10 C 2.3099 -1.5487 0.5511 C.ar 1 UNL1111111111 -0.0943 11 C 1.0054 1.1622 0.3596 C.2 1 UNL1111111111 0.5562 12 C 2.7469 -2.3683 -0.4907 C.ar 1 UNL1111111111 -0.0862 13 C 1.2214 -1.9447 1.3401 C.ar 1 UNL1111111111 -0.0941 14 C -1.3333 0.6403 -0.3246 C.ar 1 UNL1111111111 0.2804 15 C 4.2503 2.5430 -0.5241 C.2 1 UNL1111111111 0.6198 16 C 2.1164 -3.5843 -0.7488 C.ar 1 UNL1111111111 -0.3060 17 C 0.5749 -3.1457 1.1008 C.ar 1 UNL1111111111 -0.2376 18 C 1.0406 -3.9578 0.0591 C.ar 1 UNL1111111111 0.2920 19 C -2.0939 -0.0564 -1.2882 C.ar 1 UNL1111111111 -0.2883 20 C -1.9760 1.3716 0.6842 C.ar 1 UNL1111111111 -0.2605 21 C 4.8700 3.8532 -0.1329 C.3 1 UNL1111111111 -0.5301 22 C -3.4773 -0.0258 -1.2268 C.ar 1 UNL1111111111 -0.0156 23 C -3.3651 1.3963 0.7340 C.ar 1 UNL1111111111 -0.0113 24 C -4.1166 0.6988 -0.2137 C.ar 1 UNL1111111111 -0.2126 25 C -5.5791 0.6968 -0.1791 C.2 1 UNL1111111111 0.6546 26 H 2.6031 0.6511 -1.1032 H 1 UNL1111111111 0.1840 27 H 2.9300 -0.0050 1.9291 H 1 UNL1111111111 0.1670 28 H 4.1078 -0.3655 0.6700 H 1 UNL1111111111 0.1750 29 H 2.8857 2.6637 1.0850 H 1 UNL1111111111 0.3340 30 H 3.5952 -2.0615 -1.1042 H 1 UNL1111111111 0.1594 31 H 0.8788 -1.3024 2.1534 H 1 UNL1111111111 0.1611 32 H 0.4052 -0.0718 -1.1972 H 1 UNL1111111111 0.3225 33 H 2.4632 -4.2276 -1.5490 H 1 UNL1111111111 0.1608 34 H -0.2721 -3.4721 1.7007 H 1 UNL1111111111 0.1795 35 H -1.6009 -0.6192 -2.0775 H 1 UNL1111111111 0.1648 36 H -1.4049 1.9268 1.4316 H 1 UNL1111111111 0.2007 37 H 5.1542 3.8888 0.9261 H 1 UNL1111111111 0.1734 38 H 4.1881 4.6930 -0.3318 H 1 UNL1111111111 0.1804 39 H 5.7831 4.0296 -0.7249 H 1 UNL1111111111 0.1887 40 H -4.0809 -0.5637 -1.9651 H 1 UNL1111111111 0.1731 41 H -3.8699 1.9648 1.5219 H 1 UNL1111111111 0.1745 42 H 0.7364 -5.6915 -0.8130 H 1 UNL1111111111 0.3284 43 H -7.0510 1.4376 0.9096 H 1 UNL1111111111 0.3560 @BOND 1 1 11 2 2 2 18 1 3 2 42 1 4 3 15 2 5 4 25 1 6 4 43 1 7 5 25 2 8 6 8 1 9 6 15 am 10 6 29 1 11 7 11 am 12 7 14 1 13 7 32 1 14 8 9 1 15 8 11 1 16 8 26 1 17 9 10 1 18 9 27 1 19 9 28 1 20 10 12 ar 21 10 13 ar 22 12 16 ar 23 12 30 1 24 13 17 ar 25 13 31 1 26 14 19 ar 27 14 20 ar 28 15 21 1 29 16 18 ar 30 16 33 1 31 17 18 ar 32 17 34 1 33 19 22 ar 34 19 35 1 35 20 23 ar 36 20 36 1 37 21 37 1 38 21 38 1 39 21 39 1 40 22 24 ar 41 22 40 1 42 23 24 ar 43 23 41 1 44 24 25 1