@MOLECULE (2r)-1-cyano-2-butanyl {(1s)-1-[3-({[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoyl}amino)phenyl]ethyl}carbamate 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.5968 -1.0842 -0.1334 O.3 1 UNL1111111111 -0.4509 2 O 7.3262 1.0356 -0.5680 O.2 1 UNL1111111111 -0.5666 3 O -6.5708 0.8826 1.4257 O.3 1 UNL1111111111 -0.3559 4 O -8.5040 -1.7048 -1.0672 O.2 1 UNL1111111111 -0.2444 5 O -1.9116 1.6311 0.6895 O.2 1 UNL1111111111 -0.4940 6 N 5.0776 0.4859 -0.5809 N.am 1 UNL1111111111 -0.5983 7 N -0.1764 0.7493 -0.5685 N.am 1 UNL1111111111 -0.5935 8 N -2.3146 -0.1585 -0.7053 N.am 1 UNL1111111111 -0.5885 9 N -9.9892 -1.4442 0.5897 N.ar 1 UNL1111111111 -0.3697 10 N 6.7456 -2.6820 3.1145 N.1 1 UNL1111111111 -0.2635 11 C 4.6148 1.8292 -0.9742 C.3 1 UNL1111111111 0.1203 12 C 3.2450 2.0871 -0.3750 C.ar 1 UNL1111111111 0.0163 13 C 7.9514 -1.5041 0.0751 C.3 1 UNL1111111111 0.1673 14 C 7.9568 -2.9878 -0.3002 C.3 1 UNL1111111111 -0.2908 15 C 4.5711 1.9660 -2.5032 C.3 1 UNL1111111111 -0.4762 16 C 2.1407 1.3186 -0.7332 C.ar 1 UNL1111111111 -0.2764 17 C 3.1026 3.1292 0.5425 C.ar 1 UNL1111111111 -0.2072 18 C 0.8849 1.5869 -0.1542 C.ar 1 UNL1111111111 0.2485 19 C 8.2864 -1.2743 1.5662 C.3 1 UNL1111111111 -0.3234 20 C 6.4189 0.2414 -0.4451 C.2 1 UNL1111111111 0.7247 21 C 1.8547 3.3943 1.1025 C.ar 1 UNL1111111111 -0.0815 22 C 0.7419 2.6297 0.7683 C.ar 1 UNL1111111111 -0.2231 23 C 7.6278 -3.1887 -1.7766 C.3 1 UNL1111111111 -0.4288 24 C -3.6928 -0.3268 -0.4699 C.ar 1 UNL1111111111 0.2938 25 C -1.5029 0.8258 -0.1113 C.2 1 UNL1111111111 0.7327 26 C -6.4365 -0.8805 -0.1684 C.ar 1 UNL1111111111 -0.1616 27 C -5.8144 0.1666 0.5296 C.ar 1 UNL1111111111 0.2830 28 C -4.4571 0.4562 0.4013 C.ar 1 UNL1111111111 -0.2997 29 C -4.3005 -1.3810 -1.1873 C.ar 1 UNL1111111111 -0.3014 30 C -5.6511 -1.6514 -1.0332 C.ar 1 UNL1111111111 -0.0328 31 C 7.4331 -2.0569 2.4257 C.1 1 UNL1111111111 0.1316 32 C -7.8332 -1.1408 0.0149 C.ar 1 UNL1111111111 0.0977 33 C -8.7408 -0.9829 1.0385 C.ar 1 UNL1111111111 -0.0801 34 C -7.0742 2.0905 0.8606 C.3 1 UNL1111111111 -0.1871 35 C -9.8158 -1.8599 -0.6441 C.ar 1 UNL1111111111 0.1439 36 H 5.3572 2.5795 -0.5714 H 1 UNL1111111111 0.1701 37 H 8.6338 -0.9083 -0.5727 H 1 UNL1111111111 0.1556 38 H 7.2193 -3.5434 0.3171 H 1 UNL1111111111 0.1645 39 H 8.9463 -3.4244 -0.0611 H 1 UNL1111111111 0.1496 40 H 4.3962 -0.2476 -0.4699 H 1 UNL1111111111 0.3291 41 H 5.5766 1.8614 -2.9307 H 1 UNL1111111111 0.1664 42 H 4.1880 2.9526 -2.7927 H 1 UNL1111111111 0.1597 43 H 3.9337 1.2124 -2.9781 H 1 UNL1111111111 0.1517 44 H 2.2514 0.5188 -1.4588 H 1 UNL1111111111 0.1561 45 H 3.9639 3.7340 0.8252 H 1 UNL1111111111 0.1607 46 H 8.1782 -0.1846 1.8026 H 1 UNL1111111111 0.1999 47 H 9.3625 -1.5053 1.7492 H 1 UNL1111111111 0.1842 48 H 1.7553 4.2136 1.8166 H 1 UNL1111111111 0.1552 49 H -0.2249 2.8500 1.2279 H 1 UNL1111111111 0.1993 50 H 6.6041 -2.8577 -1.9994 H 1 UNL1111111111 0.1537 51 H 7.6993 -4.2456 -2.0578 H 1 UNL1111111111 0.1459 52 H 8.3032 -2.6259 -2.4307 H 1 UNL1111111111 0.1450 53 H 0.0701 0.0482 -1.2591 H 1 UNL1111111111 0.3106 54 H -1.8956 -0.8332 -1.3418 H 1 UNL1111111111 0.3133 55 H -4.0232 1.2725 0.9801 H 1 UNL1111111111 0.2164 56 H -3.7100 -1.9942 -1.8645 H 1 UNL1111111111 0.1626 57 H -6.1097 -2.4733 -1.5873 H 1 UNL1111111111 0.1649 58 H -8.6154 -0.5881 2.0338 H 1 UNL1111111111 0.2025 59 H -7.6522 2.5210 1.6893 H 1 UNL1111111111 0.1549 60 H -7.7237 1.8778 0.0049 H 1 UNL1111111111 0.1322 61 H -6.2491 2.7518 0.5757 H 1 UNL1111111111 0.1361 62 H -10.4814 -2.2800 -1.3674 H 1 UNL1111111111 0.1952 @BOND 1 1 13 1 2 1 20 1 3 2 20 2 4 3 27 1 5 3 34 1 6 4 32 ar 7 4 35 ar 8 5 25 2 9 6 11 1 10 6 20 am 11 6 40 1 12 7 18 1 13 7 25 am 14 7 53 1 15 8 24 1 16 8 25 am 17 8 54 1 18 9 33 ar 19 9 35 ar 20 10 31 3 21 11 12 1 22 11 15 1 23 11 36 1 24 12 16 ar 25 12 17 ar 26 13 14 1 27 13 19 1 28 13 37 1 29 14 23 1 30 14 38 1 31 14 39 1 32 15 41 1 33 15 42 1 34 15 43 1 35 16 18 ar 36 16 44 1 37 17 21 ar 38 17 45 1 39 18 22 ar 40 19 31 1 41 19 46 1 42 19 47 1 43 21 22 ar 44 21 48 1 45 22 49 1 46 23 50 1 47 23 51 1 48 23 52 1 49 24 28 ar 50 24 29 ar 51 26 27 ar 52 26 30 ar 53 26 32 1 54 27 28 ar 55 28 55 1 56 29 30 ar 57 29 56 1 58 30 57 1 59 32 33 ar 60 33 58 1 61 34 59 1 62 34 60 1 63 34 61 1 64 35 62 1