@MOLECULE benzyl [(2s)-1-{[(2s)-2-{[(2s)-4-chloro-3-oxo-1-phenyl-2-butanyl]amino}propanoyl]amino}-1-oxo-2-propanyl]carbamate 61 62 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.8075 -0.6457 2.6209 Cl 1 UNL111111111 -0.0914 2 O -5.6101 -1.9564 0.0390 O.2 1 UNL111111111 -0.3652 3 O -0.6762 -0.4519 -2.1623 O.2 1 UNL111111111 -0.4217 4 O 1.4218 0.8096 -1.0174 O.2 1 UNL111111111 -0.4038 5 O 5.4857 0.0880 0.3657 O.3 1 UNL111111111 -0.3964 6 O 4.0500 -1.6425 0.7761 O.2 1 UNL111111111 -0.5690 7 N -3.1094 -1.7470 -1.4947 N.3 1 UNL111111111 -0.5319 8 N 0.1597 -0.8625 -0.0664 N.am 1 UNL111111111 -0.6662 9 N 3.3716 0.5512 0.9585 N.am 1 UNL111111111 -0.5770 10 C -3.8155 -0.6220 -0.8485 C.3 1 UNL111111111 -0.0417 11 C -4.7764 0.0645 -1.8432 C.3 1 UNL111111111 -0.3045 12 C -1.8431 -2.1096 -0.8470 C.3 1 UNL111111111 -0.0005 13 C -5.5236 1.1727 -1.1636 C.ar 1 UNL111111111 -0.0118 14 C -4.6901 -1.2243 0.2684 C.2 1 UNL111111111 0.4331 15 C -1.3469 -3.4426 -1.4182 C.3 1 UNL111111111 -0.4536 16 C -0.7412 -1.0624 -1.1316 C.2 1 UNL111111111 0.5202 17 C -4.3282 -0.7934 1.6723 C.3 1 UNL111111111 -0.3284 18 C -4.9818 2.4581 -1.1215 C.ar 1 UNL111111111 -0.1713 19 C -6.7657 0.9237 -0.5749 C.ar 1 UNL111111111 -0.1647 20 C 1.9955 0.1583 1.2384 C.3 1 UNL111111111 0.0304 21 C 1.1980 0.0925 -0.0841 C.2 1 UNL111111111 0.5344 22 C -5.6851 3.4910 -0.5048 C.ar 1 UNL111111111 -0.1416 23 C -7.4659 1.9566 0.0436 C.ar 1 UNL111111111 -0.1334 24 C -6.9306 3.2434 0.0705 C.ar 1 UNL111111111 -0.1549 25 C 1.3250 1.1940 2.1395 C.3 1 UNL111111111 -0.4629 26 C 4.2797 -0.4545 0.6877 C.2 1 UNL111111111 0.7134 27 C 6.5233 -0.8985 0.1791 C.3 1 UNL111111111 -0.0205 28 C 7.7568 -0.0729 -0.0029 C.ar 1 UNL111111111 -0.0451 29 C 8.0848 0.4081 -1.2714 C.ar 1 UNL111111111 -0.1264 30 C 8.5693 0.2291 1.0901 C.ar 1 UNL111111111 -0.1330 31 C 9.2314 1.1800 -1.4468 C.ar 1 UNL111111111 -0.1543 32 C 9.7157 1.0017 0.9109 C.ar 1 UNL111111111 -0.1557 33 C 10.0508 1.4736 -0.3576 C.ar 1 UNL111111111 -0.1355 34 H -3.1134 0.1458 -0.4367 H 1 UNL111111111 0.1399 35 H -4.2126 0.4507 -2.7177 H 1 UNL111111111 0.1657 36 H -5.4831 -0.6927 -2.2538 H 1 UNL111111111 0.1820 37 H -2.0261 -2.2168 0.2525 H 1 UNL111111111 0.1452 38 H -2.9905 -1.6023 -2.4992 H 1 UNL111111111 0.2918 39 H -1.1413 -3.3783 -2.4960 H 1 UNL111111111 0.1664 40 H -2.1137 -4.2218 -1.2876 H 1 UNL111111111 0.1750 41 H -0.4327 -3.7887 -0.9238 H 1 UNL111111111 0.1548 42 H -3.6859 -1.5501 2.1589 H 1 UNL111111111 0.1750 43 H -3.8348 0.1927 1.7139 H 1 UNL111111111 0.1732 44 H -4.0116 2.6580 -1.5742 H 1 UNL111111111 0.1559 45 H -7.1910 -0.0809 -0.6002 H 1 UNL111111111 0.1687 46 H 0.0973 -1.4873 0.7317 H 1 UNL111111111 0.3134 47 H 2.0110 -0.8510 1.7404 H 1 UNL111111111 0.1783 48 H -5.2652 4.4945 -0.4772 H 1 UNL111111111 0.1480 49 H -8.4320 1.7551 0.5046 H 1 UNL111111111 0.1528 50 H -7.4868 4.0540 0.5359 H 1 UNL111111111 0.1484 51 H 1.3074 2.1899 1.6729 H 1 UNL111111111 0.1690 52 H 1.8584 1.2943 3.0954 H 1 UNL111111111 0.1696 53 H 0.2888 0.9207 2.3708 H 1 UNL111111111 0.1592 54 H 3.5483 1.5077 0.6779 H 1 UNL111111111 0.3365 55 H 6.5609 -1.5590 1.0664 H 1 UNL111111111 0.1481 56 H 6.2655 -1.5055 -0.7107 H 1 UNL111111111 0.1507 57 H 7.4413 0.1848 -2.1223 H 1 UNL111111111 0.1588 58 H 8.3077 -0.1316 2.0830 H 1 UNL111111111 0.1531 59 H 9.4840 1.5586 -2.4350 H 1 UNL111111111 0.1517 60 H 10.3452 1.2424 1.7652 H 1 UNL111111111 0.1499 61 H 10.9472 2.0758 -0.4955 H 1 UNL111111111 0.1497 @BOND 1 1 17 1 2 2 14 2 3 3 16 2 4 4 21 2 5 5 26 1 6 5 27 1 7 6 26 2 8 7 10 1 9 7 12 1 10 7 38 1 11 8 16 am 12 8 21 am 13 8 46 1 14 9 20 1 15 9 26 am 16 9 54 1 17 10 11 1 18 10 14 1 19 10 34 1 20 11 13 1 21 11 35 1 22 11 36 1 23 12 15 1 24 12 16 1 25 12 37 1 26 13 18 ar 27 13 19 ar 28 14 17 1 29 15 39 1 30 15 40 1 31 15 41 1 32 17 42 1 33 17 43 1 34 18 22 ar 35 18 44 1 36 19 23 ar 37 19 45 1 38 20 21 1 39 20 25 1 40 20 47 1 41 22 24 ar 42 22 48 1 43 23 24 ar 44 23 49 1 45 24 50 1 46 25 51 1 47 25 52 1 48 25 53 1 49 27 28 1 50 27 55 1 51 27 56 1 52 28 29 ar 53 28 30 ar 54 29 31 ar 55 29 57 1 56 30 32 ar 57 30 58 1 58 31 33 ar 59 31 59 1 60 32 33 ar 61 32 60 1 62 33 61 1