@MOLECULE ethyl (4r)-4-[(n-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-phenylalanyl)amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]pentanoate 71 72 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8226 -0.9025 1.6109 O.2 1 UNL111111111 -0.6188 2 C 2.4964 -0.8964 0.5951 C.2 1 UNL111111111 0.7502 3 O 3.5148 -1.7341 0.3031 O.3 1 UNL111111111 -0.4662 4 C 3.8238 -2.8144 1.2218 C.3 1 UNL111111111 0.3868 5 C 2.6079 -3.7224 1.3607 C.3 1 UNL111111111 -0.5102 6 C 4.9696 -3.4986 0.4698 C.3 1 UNL111111111 -0.4849 7 C 4.2822 -2.2221 2.5474 C.3 1 UNL111111111 -0.5109 8 N 2.3019 -0.0296 -0.4579 N.am 1 UNL111111111 -0.5910 9 C 1.4287 1.1331 -0.2688 C.3 1 UNL111111111 0.0237 10 C 1.8594 2.2883 -1.1893 C.3 1 UNL111111111 -0.3153 11 C 3.2928 2.6499 -0.9612 C.ar 1 UNL111111111 0.0124 12 C 4.2447 2.3867 -1.9482 C.ar 1 UNL111111111 -0.1814 13 C 5.5856 2.6910 -1.7233 C.ar 1 UNL111111111 -0.1340 14 C 5.9807 3.2586 -0.5136 C.ar 1 UNL111111111 -0.1628 15 C 5.0295 3.5307 0.4688 C.ar 1 UNL111111111 -0.1343 16 C 3.6880 3.2311 0.2461 C.ar 1 UNL111111111 -0.1701 17 C -0.0247 0.7256 -0.6300 C.2 1 UNL111111111 0.5570 18 O -0.6002 1.1880 -1.5921 O.2 1 UNL111111111 -0.5343 19 N -0.6084 -0.1443 0.2513 N.am 1 UNL111111111 -0.6046 20 C -1.9553 -0.6830 0.0097 C.3 1 UNL111111111 0.0995 21 C -1.9482 -2.1752 0.4185 C.3 1 UNL111111111 -0.3160 22 C -3.1846 -2.9199 -0.0827 C.3 1 UNL111111111 -0.1786 23 C -3.2319 -4.3729 0.4432 C.3 1 UNL111111111 -0.2981 24 C -3.0130 -5.2900 -0.7885 C.3 1 UNL111111111 -0.0640 25 N -3.0397 -4.3901 -1.9477 N.am 1 UNL111111111 -0.6140 26 C -3.1500 -3.0568 -1.6041 C.2 1 UNL111111111 0.5789 27 O -3.2171 -2.1732 -2.4249 O.2 1 UNL111111111 -0.5182 28 C -2.9819 0.1189 0.8375 C.3 1 UNL111111111 -0.2838 29 C -3.3653 1.4047 0.1041 C.3 1 UNL111111111 -0.3484 30 C -4.2267 2.2571 0.9781 C.2 1 UNL111111111 0.6096 31 O -4.6455 2.0115 2.0817 O.2 1 UNL111111111 -0.5361 32 O -4.5067 3.4239 0.3466 O.3 1 UNL111111111 -0.4386 33 C -5.3403 4.3513 1.0563 C.3 1 UNL111111111 0.0085 34 C -5.4273 5.5542 0.1307 C.3 1 UNL111111111 -0.4619 35 H 2.9280 -0.0295 -1.2523 H 1 UNL111111111 0.3348 36 H 2.1947 -3.9880 0.3803 H 1 UNL111111111 0.1608 37 H 2.8630 -4.6502 1.8826 H 1 UNL111111111 0.1545 38 H 1.8052 -3.2334 1.9329 H 1 UNL111111111 0.1781 39 H 5.8004 -2.8027 0.2945 H 1 UNL111111111 0.1643 40 H 5.3543 -4.3523 1.0356 H 1 UNL111111111 0.1557 41 H 4.6411 -3.8589 -0.5132 H 1 UNL111111111 0.1621 42 H 3.4520 -1.7295 3.0778 H 1 UNL111111111 0.1832 43 H 4.6849 -2.9921 3.2123 H 1 UNL111111111 0.1550 44 H 5.0596 -1.4628 2.3984 H 1 UNL111111111 0.1622 45 H 1.4586 1.4663 0.8062 H 1 UNL111111111 0.1708 46 H 1.6614 2.0208 -2.2524 H 1 UNL111111111 0.1835 47 H 1.1946 3.1638 -1.0139 H 1 UNL111111111 0.1814 48 H 3.9431 1.9481 -2.8974 H 1 UNL111111111 0.1536 49 H 2.9495 3.4474 1.0155 H 1 UNL111111111 0.1543 50 H 6.3255 2.4837 -2.4938 H 1 UNL111111111 0.1478 51 H 7.0283 3.4912 -0.3366 H 1 UNL111111111 0.1488 52 H 5.3367 3.9786 1.4119 H 1 UNL111111111 0.1477 53 H -0.0763 -0.5209 1.0317 H 1 UNL111111111 0.3393 54 H -2.1956 -0.5913 -1.0913 H 1 UNL111111111 0.1960 55 H -1.0331 -2.6597 0.0188 H 1 UNL111111111 0.1585 56 H -1.8776 -2.2609 1.5206 H 1 UNL111111111 0.1529 57 H -3.8874 -0.4868 1.0318 H 1 UNL111111111 0.1502 58 H -2.5720 0.3547 1.8406 H 1 UNL111111111 0.1621 59 H -4.1112 -2.3689 0.2047 H 1 UNL111111111 0.1723 60 H -2.4668 -4.5581 1.2136 H 1 UNL111111111 0.1523 61 H -4.2029 -4.5837 0.9208 H 1 UNL111111111 0.1487 62 H -2.0376 -5.8178 -0.7336 H 1 UNL111111111 0.1349 63 H -3.8070 -6.0596 -0.8710 H 1 UNL111111111 0.1332 64 H -3.0117 -4.7372 -2.8821 H 1 UNL111111111 0.3236 65 H -2.4571 1.9684 -0.2183 H 1 UNL111111111 0.2027 66 H -3.8889 1.1793 -0.8529 H 1 UNL111111111 0.1912 67 H -6.3185 3.8717 1.2351 H 1 UNL111111111 0.1308 68 H -4.8650 4.5851 2.0250 H 1 UNL111111111 0.1315 69 H -4.4402 6.0070 -0.0292 H 1 UNL111111111 0.1586 70 H -5.8092 5.2669 -0.8587 H 1 UNL111111111 0.1620 71 H -6.0915 6.3218 0.5411 H 1 UNL111111111 0.1507 @BOND 1 1 2 2 2 2 3 1 3 2 8 am 4 3 4 1 5 4 5 1 6 4 6 1 7 4 7 1 8 5 36 1 9 5 37 1 10 5 38 1 11 6 39 1 12 6 40 1 13 6 41 1 14 7 42 1 15 7 43 1 16 7 44 1 17 8 9 1 18 8 35 1 19 9 10 1 20 9 17 1 21 9 45 1 22 10 11 1 23 10 46 1 24 10 47 1 25 11 12 ar 26 11 16 ar 27 12 13 ar 28 12 48 1 29 13 14 ar 30 13 50 1 31 14 15 ar 32 14 51 1 33 15 16 ar 34 15 52 1 35 16 49 1 36 17 18 2 37 17 19 am 38 19 20 1 39 19 53 1 40 20 21 1 41 20 28 1 42 20 54 1 43 21 22 1 44 21 55 1 45 21 56 1 46 22 23 1 47 22 26 1 48 22 59 1 49 23 24 1 50 23 60 1 51 23 61 1 52 24 25 1 53 24 62 1 54 24 63 1 55 25 26 am 56 25 64 1 57 26 27 2 58 28 29 1 59 28 57 1 60 28 58 1 61 29 30 1 62 29 65 1 63 29 66 1 64 30 31 2 65 30 32 1 66 32 33 1 67 33 34 1 68 33 67 1 69 33 68 1 70 34 69 1 71 34 70 1 72 34 71 1