@MOLECULE ethyl n-(2-acetoxybenzoyl)-l-phenylalaninate 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6975 -0.6360 -1.5989 O.3 1 UNL1111111111 -0.4320 2 O 3.0787 1.0388 -2.1841 O.2 1 UNL1111111111 -0.5085 3 O -1.4878 2.6045 -1.3667 O.2 1 UNL1111111111 -0.5427 4 O -1.6010 -1.1982 0.1715 O.3 1 UNL1111111111 -0.4649 5 O -2.6930 -3.0028 -0.6352 O.2 1 UNL1111111111 -0.4575 6 N -0.2053 0.8891 -0.6785 N.am 1 UNL1111111111 -0.5892 7 C 1.0096 1.5917 -1.0618 C.3 1 UNL1111111111 0.0395 8 C 1.6724 2.2728 0.1647 C.3 1 UNL1111111111 -0.3178 9 C 2.1484 1.2667 1.1653 C.ar 1 UNL1111111111 0.0049 10 C 2.0502 0.6661 -1.6822 C.2 1 UNL1111111111 0.5805 11 C -1.4244 1.5285 -0.7978 C.2 1 UNL1111111111 0.6108 12 C 3.4849 0.8606 1.1654 C.ar 1 UNL1111111111 -0.1742 13 C 1.2569 0.7160 2.0886 C.ar 1 UNL1111111111 -0.1686 14 C -2.6167 0.9028 -0.1733 C.ar 1 UNL1111111111 -0.2152 15 C 3.9214 -0.1015 2.0726 C.ar 1 UNL1111111111 -0.1459 16 C 1.6941 -0.2533 2.9879 C.ar 1 UNL1111111111 -0.1403 17 C -2.7285 -0.4220 0.2591 C.ar 1 UNL1111111111 0.2949 18 C 3.0258 -0.6644 2.9801 C.ar 1 UNL1111111111 -0.1631 19 C -3.7271 1.7386 0.0037 C.ar 1 UNL1111111111 -0.0441 20 C 2.6447 -1.5999 -2.0725 C.3 1 UNL1111111111 0.0095 21 C -3.8895 -0.9223 0.8479 C.ar 1 UNL1111111111 -0.2430 22 C -4.8927 1.2605 0.5940 C.ar 1 UNL1111111111 -0.2111 23 C -4.9744 -0.0682 1.0134 C.ar 1 UNL1111111111 -0.0678 24 C 3.5559 -1.9970 -0.9244 C.3 1 UNL1111111111 -0.4842 25 C -1.6598 -2.4797 -0.3394 C.2 1 UNL1111111111 0.6497 26 C -0.2707 -2.9945 -0.4291 C.3 1 UNL1111111111 -0.5074 27 H 0.7541 2.3874 -1.8313 H 1 UNL1111111111 0.2096 28 H 0.9387 2.9717 0.6231 H 1 UNL1111111111 0.1784 29 H 2.5071 2.9168 -0.1866 H 1 UNL1111111111 0.1724 30 H -0.1079 0.0043 -0.2031 H 1 UNL1111111111 0.3375 31 H 4.1853 1.2929 0.4504 H 1 UNL1111111111 0.1632 32 H 0.2187 1.0448 2.1076 H 1 UNL1111111111 0.1595 33 H 4.9647 -0.4115 2.0742 H 1 UNL1111111111 0.1492 34 H 0.9947 -0.6855 3.7012 H 1 UNL1111111111 0.1506 35 H 3.3676 -1.4179 3.6860 H 1 UNL1111111111 0.1491 36 H -3.6663 2.7805 -0.3319 H 1 UNL1111111111 0.1808 37 H 3.2054 -1.1966 -2.9365 H 1 UNL1111111111 0.1478 38 H 1.9859 -2.4217 -2.4071 H 1 UNL1111111111 0.1325 39 H -3.9447 -1.9636 1.1608 H 1 UNL1111111111 0.1820 40 H -5.7458 1.9234 0.7246 H 1 UNL1111111111 0.1607 41 H -5.8919 -0.4406 1.4697 H 1 UNL1111111111 0.1537 42 H 4.2200 -2.8219 -1.2057 H 1 UNL1111111111 0.1554 43 H 2.9846 -2.3051 -0.0400 H 1 UNL1111111111 0.1566 44 H 4.1883 -1.1527 -0.6119 H 1 UNL1111111111 0.1671 45 H 0.4791 -2.3128 0.0095 H 1 UNL1111111111 0.1970 46 H 0.0130 -3.1390 -1.4871 H 1 UNL1111111111 0.1955 47 H -0.1784 -3.9687 0.0772 H 1 UNL1111111111 0.1889 @BOND 1 1 10 1 2 1 20 1 3 2 10 2 4 3 11 2 5 4 17 1 6 4 25 1 7 5 25 2 8 6 7 1 9 6 11 am 10 6 30 1 11 7 8 1 12 7 10 1 13 7 27 1 14 8 9 1 15 8 28 1 16 8 29 1 17 9 12 ar 18 9 13 ar 19 11 14 1 20 12 15 ar 21 12 31 1 22 13 16 ar 23 13 32 1 24 14 17 ar 25 14 19 ar 26 15 18 ar 27 15 33 1 28 16 18 ar 29 16 34 1 30 17 21 ar 31 18 35 1 32 19 22 ar 33 19 36 1 34 20 24 1 35 20 37 1 36 20 38 1 37 21 23 ar 38 21 39 1 39 22 23 ar 40 22 40 1 41 23 41 1 42 24 42 1 43 24 43 1 44 24 44 1 45 25 26 1 46 26 45 1 47 26 46 1 48 26 47 1