@MOLECULE 1,3-thiazol-5-ylmethyl [(2r,5r)-5-{[(2s)-2-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate 70 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5213 -1.6554 0.7905 O.2 1 UNL111111111 -0.5512 2 C -4.0263 -0.5801 1.0641 C.2 1 UNL111111111 0.5767 3 C -4.4413 0.2523 2.2711 C.3 1 UNL111111111 -0.1744 4 C -5.3762 -0.5962 3.1496 C.3 1 UNL111111111 -0.2431 5 C -5.5206 -0.0131 4.5529 C.3 1 UNL111111111 -0.4370 6 C -5.1401 1.5175 1.7700 C.3 1 UNL111111111 -0.4493 7 N -2.9979 -0.0644 0.2902 N.am 1 UNL111111111 -0.6161 8 C -2.6838 -0.6870 -1.0025 C.3 1 UNL111111111 0.1036 9 C -3.2437 0.1634 -2.1770 C.3 1 UNL111111111 -0.3438 10 C -4.6508 0.6100 -1.9293 C.ar 1 UNL111111111 0.0152 11 C -5.6578 -0.3246 -1.6742 C.ar 1 UNL111111111 -0.1601 12 C -6.9572 0.1018 -1.4143 C.ar 1 UNL111111111 -0.1343 13 C -7.2607 1.4627 -1.4142 C.ar 1 UNL111111111 -0.1694 14 C -6.2611 2.3957 -1.6795 C.ar 1 UNL111111111 -0.1440 15 C -4.9593 1.9721 -1.9387 C.ar 1 UNL111111111 -0.1894 16 C -1.1549 -0.8122 -1.1612 C.3 1 UNL111111111 -0.2952 17 C -0.5679 -1.7930 -0.1419 C.3 1 UNL111111111 -0.2895 18 C 0.9513 -1.9419 -0.3544 C.3 1 UNL111111111 0.1075 19 C 1.5050 -3.0844 0.5374 C.3 1 UNL111111111 -0.3433 20 C 2.9839 -3.2174 0.3448 C.ar 1 UNL111111111 0.0072 21 C 3.4852 -3.8231 -0.8097 C.ar 1 UNL111111111 -0.1651 22 C 4.8598 -3.8898 -1.0217 C.ar 1 UNL111111111 -0.1312 23 C 5.7396 -3.3582 -0.0800 C.ar 1 UNL111111111 -0.1612 24 C 5.2416 -2.7681 1.0799 C.ar 1 UNL111111111 -0.1354 25 C 3.8668 -2.6999 1.2948 C.ar 1 UNL111111111 -0.1772 26 N 1.6082 -0.6662 -0.0190 N.am 1 UNL111111111 -0.5871 27 C 2.6013 -0.2059 -0.8532 C.2 1 UNL111111111 0.7150 28 O 2.8216 -0.5525 -1.9921 O.2 1 UNL111111111 -0.5513 29 O 3.3063 0.7827 -0.2121 O.3 1 UNL111111111 -0.4374 30 C 4.4036 1.3040 -0.9842 C.3 1 UNL111111111 0.0115 31 C 4.9608 2.3776 -0.1407 C.ar 1 UNL111111111 -0.2240 32 C 6.0018 2.2740 0.7475 C.ar 1 UNL111111111 0.0027 33 N 6.3249 3.4466 1.4286 N.ar 1 UNL111111111 -0.3484 34 C 5.5479 4.4470 1.0910 C.ar 1 UNL111111111 -0.0551 35 S 4.3296 4.0063 -0.1152 S.2 1 UNL111111111 0.1943 36 H -3.5349 0.5277 2.8624 H 1 UNL111111111 0.1557 37 H -6.3655 -0.6902 2.6605 H 1 UNL111111111 0.1510 38 H -4.9912 -1.6359 3.2100 H 1 UNL111111111 0.1556 39 H -5.9293 1.0029 4.5312 H 1 UNL111111111 0.1417 40 H -6.1973 -0.6237 5.1622 H 1 UNL111111111 0.1422 41 H -4.5580 0.0272 5.0743 H 1 UNL111111111 0.1397 42 H -5.9245 1.2810 1.0343 H 1 UNL111111111 0.1658 43 H -5.6249 2.0550 2.5937 H 1 UNL111111111 0.1569 44 H -4.4457 2.2127 1.2882 H 1 UNL111111111 0.1407 45 H -2.6537 0.8693 0.4350 H 1 UNL111111111 0.3067 46 H -3.1543 -1.7089 -1.0301 H 1 UNL111111111 0.1704 47 H -2.5805 1.0321 -2.3597 H 1 UNL111111111 0.1538 48 H -3.2002 -0.4379 -3.1092 H 1 UNL111111111 0.1630 49 H -5.4218 -1.3892 -1.6478 H 1 UNL111111111 0.1684 50 H -7.7344 -0.6315 -1.2042 H 1 UNL111111111 0.1534 51 H -8.2757 1.7943 -1.2097 H 1 UNL111111111 0.1500 52 H -6.4968 3.4581 -1.6868 H 1 UNL111111111 0.1472 53 H -4.1858 2.7068 -2.1484 H 1 UNL111111111 0.1482 54 H -0.9186 -1.1453 -2.1900 H 1 UNL111111111 0.1498 55 H -0.6709 0.1782 -1.0503 H 1 UNL111111111 0.1555 56 H -0.7902 -1.4499 0.8872 H 1 UNL111111111 0.1566 57 H -1.0561 -2.7821 -0.2369 H 1 UNL111111111 0.1525 58 H 1.1635 -2.1824 -1.4340 H 1 UNL111111111 0.1697 59 H 1.2512 -2.8993 1.5991 H 1 UNL111111111 0.1564 60 H 0.9913 -4.0330 0.2791 H 1 UNL111111111 0.1644 61 H 2.8021 -4.2286 -1.5530 H 1 UNL111111111 0.1525 62 H 5.2462 -4.3512 -1.9286 H 1 UNL111111111 0.1494 63 H 6.8126 -3.4049 -0.2508 H 1 UNL111111111 0.1496 64 H 5.9263 -2.3566 1.8191 H 1 UNL111111111 0.1507 65 H 3.4851 -2.2348 2.2005 H 1 UNL111111111 0.1498 66 H 1.5829 -0.3662 0.9450 H 1 UNL111111111 0.3200 67 H 5.1222 0.4744 -1.1595 H 1 UNL111111111 0.1562 68 H 4.0218 1.6418 -1.9701 H 1 UNL111111111 0.1591 69 H 6.5895 1.3888 0.9695 H 1 UNL111111111 0.1873 70 H 5.6369 5.4421 1.5074 H 1 UNL111111111 0.1899 @BOND 1 1 2 2 2 2 3 1 3 3 4 1 4 3 36 1 5 4 5 1 6 4 37 1 7 4 38 1 8 5 39 1 9 5 40 1 10 5 41 1 11 6 3 1 12 6 42 1 13 6 43 1 14 6 44 1 15 7 2 am 16 7 8 1 17 7 45 1 18 8 46 1 19 9 8 1 20 9 47 1 21 9 48 1 22 10 9 1 23 10 15 ar 24 11 10 ar 25 11 49 1 26 12 11 ar 27 12 13 ar 28 12 50 1 29 13 14 ar 30 13 51 1 31 14 15 ar 32 14 52 1 33 15 53 1 34 16 8 1 35 16 54 1 36 16 55 1 37 17 16 1 38 17 56 1 39 17 57 1 40 18 17 1 41 18 58 1 42 19 18 1 43 19 59 1 44 19 60 1 45 20 25 ar 46 20 19 1 47 21 20 ar 48 21 61 1 49 22 23 ar 50 22 21 ar 51 22 62 1 52 23 24 ar 53 23 63 1 54 24 25 ar 55 24 64 1 56 25 65 1 57 26 18 1 58 26 66 1 59 27 29 1 60 27 26 am 61 28 27 2 62 30 29 1 63 30 31 1 64 30 67 1 65 30 68 1 66 31 32 ar 67 31 35 ar 68 32 33 ar 69 32 69 1 70 33 34 ar 71 34 70 1 72 35 34 ar