@MOLECULE (4r)-1-acetyl-4-hydroxy-l-prolyl-(4r)-4-hydroxy-n-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-l-prolinamide 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.2630 0.7903 -3.3352 C.3 1 UNL111111111 -0.5186 2 C 4.9144 0.2807 -1.9736 C.2 1 UNL111111111 0.6279 3 O 4.6151 -0.8771 -1.7470 O.2 1 UNL111111111 -0.5832 4 N 5.0105 1.1582 -0.8978 N.am 1 UNL111111111 -0.5019 5 C 4.8982 2.6193 -1.0428 C.3 1 UNL111111111 -0.1355 6 C 4.9130 3.1598 0.4075 C.3 1 UNL111111111 0.1700 7 O 6.2054 3.5744 0.7610 O.3 1 UNL111111111 -0.5537 8 C 4.4417 1.9913 1.2971 C.3 1 UNL111111111 -0.3487 9 C 4.4941 0.7273 0.4168 C.3 1 UNL111111111 0.0174 10 C 3.0699 0.1725 0.2373 C.2 1 UNL111111111 0.5522 11 O 2.1841 0.9076 -0.1767 O.2 1 UNL111111111 -0.5890 12 N 2.7681 -1.1080 0.6234 N.am 1 UNL111111111 -0.4661 13 C 3.7564 -2.1568 0.9210 C.3 1 UNL111111111 -0.1425 14 C 3.2203 -3.4531 0.2626 C.3 1 UNL111111111 0.1725 15 O 3.9111 -3.7348 -0.9221 O.3 1 UNL111111111 -0.5674 16 C 1.7274 -3.1975 -0.0168 C.3 1 UNL111111111 -0.3482 17 C 1.4814 -1.6963 0.1926 C.3 1 UNL111111111 0.0043 18 C 0.4203 -1.4390 1.2857 C.2 1 UNL111111111 0.5631 19 O -0.0998 -2.3306 1.9257 O.2 1 UNL111111111 -0.5510 20 N 0.0923 -0.1195 1.4613 N.am 1 UNL111111111 -0.5824 21 C -0.9790 0.2654 2.3818 C.3 1 UNL111111111 -0.0714 22 C -2.2973 0.3193 1.6502 C.ar 1 UNL111111111 -0.0289 23 C -3.0002 -0.8647 1.4195 C.ar 1 UNL111111111 -0.1344 24 C -4.2134 -0.8309 0.7424 C.ar 1 UNL111111111 -0.1522 25 C -2.8022 1.5345 1.1909 C.ar 1 UNL111111111 -0.1515 26 C -4.0159 1.5713 0.5089 C.ar 1 UNL111111111 -0.1527 27 C -4.7295 0.3893 0.2873 C.ar 1 UNL111111111 0.0099 28 C -5.9902 0.4073 -0.4184 C.ar 1 UNL111111111 -0.2469 29 S -7.3558 1.3429 0.1510 S.2 1 UNL111111111 0.1579 30 C -8.3116 0.7581 -1.2264 C.ar 1 UNL111111111 -0.0386 31 N -7.6477 -0.0533 -2.0058 N.ar 1 UNL111111111 -0.3669 32 C -6.3327 -0.2688 -1.5656 C.ar 1 UNL111111111 0.1642 33 C -5.4757 -1.1753 -2.3599 C.3 1 UNL111111111 -0.4351 34 H 4.4826 1.4618 -3.7248 H 1 UNL111111111 0.1823 35 H 6.2194 1.3314 -3.3507 H 1 UNL111111111 0.1792 36 H 5.3490 -0.0509 -4.0459 H 1 UNL111111111 0.1938 37 H 5.7574 3.0116 -1.6255 H 1 UNL111111111 0.1597 38 H 3.9599 2.9101 -1.5629 H 1 UNL111111111 0.1554 39 H 4.3155 4.0856 0.5365 H 1 UNL111111111 0.1544 40 H 6.8504 2.8411 0.6826 H 1 UNL111111111 0.3246 41 H 5.0841 1.8974 2.1901 H 1 UNL111111111 0.1697 42 H 3.4197 2.1820 1.6767 H 1 UNL111111111 0.1770 43 H 5.1943 -0.0379 0.8338 H 1 UNL111111111 0.1652 44 H 4.7634 -1.9145 0.5160 H 1 UNL111111111 0.1656 45 H 3.8387 -2.2672 2.0237 H 1 UNL111111111 0.1558 46 H 3.3994 -4.3597 0.8767 H 1 UNL111111111 0.1491 47 H 4.0647 -2.9187 -1.4533 H 1 UNL111111111 0.3494 48 H 1.4736 -3.5124 -1.0456 H 1 UNL111111111 0.1731 49 H 1.0897 -3.8095 0.6540 H 1 UNL111111111 0.1900 50 H 1.1328 -1.2121 -0.7608 H 1 UNL111111111 0.1735 51 H 0.5101 0.6013 0.8811 H 1 UNL111111111 0.3423 52 H -1.0320 -0.4716 3.2239 H 1 UNL111111111 0.1719 53 H -0.7242 1.2479 2.8403 H 1 UNL111111111 0.1419 54 H -2.5868 -1.8167 1.7652 H 1 UNL111111111 0.1791 55 H -4.7690 -1.7514 0.5681 H 1 UNL111111111 0.1592 56 H -2.2498 2.4575 1.3566 H 1 UNL111111111 0.1514 57 H -4.3999 2.5209 0.1404 H 1 UNL111111111 0.1571 58 H -9.3403 1.0494 -1.3941 H 1 UNL111111111 0.1893 59 H -5.5385 -0.9458 -3.4373 H 1 UNL111111111 0.1766 60 H -4.4175 -1.1144 -2.0644 H 1 UNL111111111 0.1677 61 H -5.7977 -2.2246 -2.2486 H 1 UNL111111111 0.1734 @BOND 1 1 34 1 2 1 35 1 3 1 36 1 4 2 1 1 5 3 2 2 6 4 5 1 7 4 2 am 8 5 37 1 9 5 38 1 10 6 7 1 11 6 5 1 12 6 39 1 13 7 40 1 14 8 9 1 15 8 6 1 16 8 41 1 17 8 42 1 18 9 4 1 19 9 43 1 20 10 9 1 21 11 10 2 22 12 13 1 23 12 10 am 24 13 44 1 25 13 45 1 26 14 15 1 27 14 13 1 28 14 46 1 29 15 47 1 30 16 17 1 31 16 14 1 32 16 48 1 33 16 49 1 34 17 12 1 35 17 50 1 36 18 19 2 37 18 17 1 38 20 18 am 39 20 51 1 40 21 20 1 41 21 52 1 42 21 53 1 43 22 21 1 44 23 22 ar 45 23 54 1 46 24 23 ar 47 24 55 1 48 25 22 ar 49 25 56 1 50 26 25 ar 51 26 57 1 52 27 24 ar 53 27 26 ar 54 28 27 1 55 29 28 ar 56 30 29 ar 57 30 58 1 58 31 30 ar 59 31 32 ar 60 32 28 ar 61 33 32 1 62 33 59 1 63 33 60 1 64 33 61 1