@MOLECULE methyl 5-oxo-l-prolyl-l-leucyl-l-tryptophanate 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5656 -0.8712 -0.8282 O.2 1 UNL1111111111 -0.5212 2 O -0.6739 1.5097 1.7481 O.2 1 UNL1111111111 -0.5502 3 O -5.6805 -2.8345 1.6072 O.2 1 UNL1111111111 -0.5010 4 O 4.0846 1.4111 2.4996 O.3 1 UNL1111111111 -0.4124 5 O 3.6245 2.0505 0.3988 O.2 1 UNL1111111111 -0.4896 6 N -2.4079 1.3352 -0.3441 N.am 1 UNL1111111111 -0.5788 7 N -5.0880 -1.1931 0.1312 N.am 1 UNL1111111111 -0.5888 8 N 1.1256 0.8927 0.5104 N.am 1 UNL1111111111 -0.5834 9 N 4.4839 -2.2287 -0.6448 N.ar 1 UNL1111111111 -0.3758 10 C -0.9818 1.3663 -0.6549 C.3 1 UNL1111111111 0.0122 11 C -4.5206 0.1545 0.1587 C.3 1 UNL1111111111 -0.0045 12 C -0.5759 2.7128 -1.2766 C.3 1 UNL1111111111 -0.3159 13 C -1.3177 2.9973 -2.5924 C.3 1 UNL1111111111 -0.0456 14 C -4.6136 0.6136 1.6426 C.3 1 UNL1111111111 -0.2838 15 C -5.1070 -0.6088 2.4379 C.3 1 UNL1111111111 -0.3558 16 C -3.0747 0.1277 -0.3630 C.2 1 UNL1111111111 0.5395 17 C -0.1932 1.2457 0.6626 C.2 1 UNL1111111111 0.5490 18 C 1.9808 0.7502 1.6830 C.3 1 UNL1111111111 0.0292 19 C -5.3232 -1.7007 1.4088 C.2 1 UNL1111111111 0.5948 20 C 2.2860 -0.7425 1.9375 C.3 1 UNL1111111111 -0.2722 21 C -0.9537 4.4084 -3.0671 C.3 1 UNL1111111111 -0.4617 22 C -0.9543 1.9482 -3.6492 C.3 1 UNL1111111111 -0.4558 23 C 2.9214 -1.3682 0.7623 C.ar 1 UNL1111111111 -0.1286 24 C 2.2339 -1.9604 -0.3551 C.ar 1 UNL1111111111 -0.0815 25 C 3.2840 1.4915 1.4066 C.2 1 UNL1111111111 0.5671 26 C 3.2398 -2.5079 -1.2106 C.ar 1 UNL1111111111 0.1040 27 C 4.2815 -1.5335 0.5491 C.ar 1 UNL1111111111 -0.0370 28 C 0.8869 -2.1164 -0.7038 C.ar 1 UNL1111111111 -0.1159 29 C 2.9182 -3.2240 -2.3721 C.ar 1 UNL1111111111 -0.2185 30 C 0.5706 -2.8105 -1.8560 C.ar 1 UNL1111111111 -0.1765 31 C 1.5781 -3.3661 -2.6760 C.ar 1 UNL1111111111 -0.1101 32 C 5.3664 2.0199 2.3589 C.3 1 UNL1111111111 -0.1676 33 H -0.7341 0.5090 -1.3459 H 1 UNL1111111111 0.1949 34 H -5.1298 0.8170 -0.5145 H 1 UNL1111111111 0.1635 35 H -0.7565 3.5366 -0.5581 H 1 UNL1111111111 0.1514 36 H 0.5203 2.7228 -1.4572 H 1 UNL1111111111 0.1666 37 H -2.4193 2.9585 -2.4112 H 1 UNL1111111111 0.1333 38 H -3.6408 0.9742 2.0271 H 1 UNL1111111111 0.1680 39 H -5.3255 1.4509 1.7393 H 1 UNL1111111111 0.1517 40 H -2.7710 2.1426 0.1420 H 1 UNL1111111111 0.3170 41 H -4.3746 -0.9507 3.1977 H 1 UNL1111111111 0.1806 42 H -6.0468 -0.4030 2.9857 H 1 UNL1111111111 0.1758 43 H -4.9069 -1.7882 -0.6619 H 1 UNL1111111111 0.3339 44 H 1.4704 1.1962 2.5863 H 1 UNL1111111111 0.2002 45 H 2.9204 -0.8480 2.8431 H 1 UNL1111111111 0.1682 46 H 1.3306 -1.2610 2.1858 H 1 UNL1111111111 0.1770 47 H 1.5274 0.5919 -0.3732 H 1 UNL1111111111 0.3384 48 H -1.2179 5.1681 -2.3148 H 1 UNL1111111111 0.1415 49 H -1.4822 4.6685 -3.9894 H 1 UNL1111111111 0.1432 50 H 0.1147 4.5062 -3.2675 H 1 UNL1111111111 0.1502 51 H -1.3378 0.9585 -3.3709 H 1 UNL1111111111 0.1530 52 H -1.3841 2.1971 -4.6236 H 1 UNL1111111111 0.1416 53 H 0.1288 1.8625 -3.7812 H 1 UNL1111111111 0.1491 54 H 5.1090 -1.2143 1.1547 H 1 UNL1111111111 0.1664 55 H 5.3630 -2.4803 -1.0277 H 1 UNL1111111111 0.3131 56 H 0.1070 -1.7063 -0.0641 H 1 UNL1111111111 0.1642 57 H 3.6921 -3.6545 -2.9961 H 1 UNL1111111111 0.1545 58 H -0.4744 -2.9415 -2.1376 H 1 UNL1111111111 0.1648 59 H 1.2809 -3.9228 -3.5637 H 1 UNL1111111111 0.1488 60 H 5.9019 1.5877 1.5070 H 1 UNL1111111111 0.1388 61 H 5.2515 3.1014 2.2307 H 1 UNL1111111111 0.1408 62 H 5.8634 1.7793 3.3047 H 1 UNL1111111111 0.1459 @BOND 1 1 16 2 2 2 17 2 3 3 19 2 4 4 25 1 5 4 32 1 6 5 25 2 7 6 10 1 8 6 16 am 9 6 40 1 10 7 11 1 11 7 19 am 12 7 43 1 13 8 17 am 14 8 18 1 15 8 47 1 16 9 26 ar 17 9 27 ar 18 9 55 1 19 10 12 1 20 10 17 1 21 10 33 1 22 11 14 1 23 11 16 1 24 11 34 1 25 12 13 1 26 12 35 1 27 12 36 1 28 13 21 1 29 13 22 1 30 13 37 1 31 14 15 1 32 14 38 1 33 14 39 1 34 15 19 1 35 15 41 1 36 15 42 1 37 18 20 1 38 18 25 1 39 18 44 1 40 20 23 1 41 20 45 1 42 20 46 1 43 21 48 1 44 21 49 1 45 21 50 1 46 22 51 1 47 22 52 1 48 22 53 1 49 23 24 ar 50 23 27 ar 51 24 26 ar 52 24 28 ar 53 26 29 ar 54 27 54 1 55 28 30 ar 56 28 56 1 57 29 31 ar 58 29 57 1 59 30 31 ar 60 30 58 1 61 31 59 1 62 32 60 1 63 32 61 1 64 32 62 1