@MOLECULE (1r,2s,5s)-n-[(2s,3r)-4-amino-1-cyclobutyl-3-hydroxy-4-oxo-2-butanyl]-6,6-dimethyl-3-{3-methyl-n-[(1-methylcyclohexyl)carbamoyl]-l-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide 91 94 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.2609 -0.5995 -0.4979 C.2 1 UNL111111111 0.7216 2 O 3.2590 0.4394 -1.1417 O.2 1 UNL111111111 -0.6092 3 N 4.0612 -0.8317 0.5975 N.am 1 UNL111111111 -0.6337 4 C 4.9510 0.2217 1.1404 C.3 1 UNL111111111 0.3152 5 C 5.9696 0.6298 0.0609 C.3 1 UNL111111111 -0.5009 6 C 5.7083 -0.3748 2.3551 C.3 1 UNL111111111 -0.3219 7 C 4.7853 -0.6517 3.5473 C.3 1 UNL111111111 -0.2598 8 C 4.0131 0.6125 3.9447 C.3 1 UNL111111111 -0.2648 9 C 3.2045 1.1405 2.7540 C.3 1 UNL111111111 -0.2572 10 C 4.1294 1.4569 1.5763 C.3 1 UNL111111111 -0.3184 11 N 2.4461 -1.6926 -0.8919 N.am 1 UNL111111111 -0.5889 12 C 1.3775 -1.3237 -1.8328 C.3 1 UNL111111111 -0.0126 13 C 0.7171 -2.5830 -2.4787 C.3 1 UNL111111111 0.1318 14 C 0.3509 -3.6378 -1.4318 C.3 1 UNL111111111 -0.4797 15 C -0.5493 -2.1391 -3.2248 C.3 1 UNL111111111 -0.4759 16 C 1.7178 -3.1777 -3.4810 C.3 1 UNL111111111 -0.4618 17 C 0.3544 -0.4910 -1.0410 C.2 1 UNL111111111 0.5510 18 O -0.0105 -0.8473 0.0711 O.2 1 UNL111111111 -0.6103 19 N -0.1588 0.6601 -1.5806 N.am 1 UNL111111111 -0.4870 20 C 0.4297 1.3678 -2.7475 C.3 1 UNL111111111 -0.0525 21 C -0.9694 1.5608 -0.7297 C.3 1 UNL111111111 0.0309 22 C -0.9385 2.9176 -1.4123 C.3 1 UNL111111111 -0.2096 23 C -0.0696 2.7984 -2.6583 C.3 1 UNL111111111 -0.2150 24 C 0.3845 3.6713 -1.4898 C.3 1 UNL111111111 0.0682 25 C 0.2847 5.1656 -1.6929 C.3 1 UNL111111111 -0.4524 26 C 1.5548 3.2894 -0.6275 C.3 1 UNL111111111 -0.4532 27 C -2.4178 1.0432 -0.6720 C.2 1 UNL111111111 0.5669 28 O -3.2980 1.4919 -1.3895 O.2 1 UNL111111111 -0.5995 29 N -2.6868 0.1160 0.2986 N.am 1 UNL111111111 -0.5648 30 C -4.0360 -0.4286 0.4413 C.3 1 UNL111111111 0.0724 31 C -4.0767 -1.9706 0.6105 C.3 1 UNL111111111 -0.3133 32 C -2.7776 -2.6940 0.2975 C.3 1 UNL111111111 -0.0959 33 C -2.9276 -4.2435 0.1980 C.3 1 UNL111111111 -0.2958 34 C -1.8225 -2.8801 1.5161 C.3 1 UNL111111111 -0.2929 35 C -1.9477 -4.4186 1.3869 C.3 1 UNL111111111 -0.2792 36 O -4.0365 -0.2348 2.8127 O.3 1 UNL111111111 -0.5411 37 C -4.7395 0.2086 1.6761 C.3 1 UNL111111111 0.0357 38 O -4.7849 2.3234 2.7701 O.2 1 UNL111111111 -0.5603 39 C -4.8347 1.7386 1.7011 C.2 1 UNL111111111 0.5372 40 N -5.1129 2.4135 0.5385 N.am 1 UNL111111111 -0.6599 41 H 4.0274 -1.7046 1.0961 H 1 UNL111111111 0.3149 42 H 5.4599 1.0708 -0.8109 H 1 UNL111111111 0.1856 43 H 6.6790 1.3705 0.4370 H 1 UNL111111111 0.1469 44 H 6.5356 -0.2325 -0.3047 H 1 UNL111111111 0.1525 45 H 6.2412 -1.2960 2.0578 H 1 UNL111111111 0.1404 46 H 6.4973 0.3404 2.6586 H 1 UNL111111111 0.1525 47 H 4.0744 -1.4647 3.3119 H 1 UNL111111111 0.1320 48 H 5.3829 -1.0154 4.4044 H 1 UNL111111111 0.1326 49 H 3.3411 0.3955 4.7953 H 1 UNL111111111 0.1341 50 H 4.7151 1.3889 4.3007 H 1 UNL111111111 0.1345 51 H 2.4420 0.3965 2.4507 H 1 UNL111111111 0.1481 52 H 2.6414 2.0464 3.0459 H 1 UNL111111111 0.1356 53 H 4.8228 2.2740 1.8462 H 1 UNL111111111 0.1442 54 H 3.5394 1.8339 0.7159 H 1 UNL111111111 0.1666 55 H 2.1446 -2.3462 -0.1720 H 1 UNL111111111 0.3083 56 H 1.8415 -0.7124 -2.6570 H 1 UNL111111111 0.1820 57 H -0.1817 -3.1918 -0.5784 H 1 UNL111111111 0.1753 58 H -0.3076 -4.4046 -1.8548 H 1 UNL111111111 0.1496 59 H 1.2332 -4.1576 -1.0445 H 1 UNL111111111 0.1459 60 H -1.3244 -1.7753 -2.5381 H 1 UNL111111111 0.1578 61 H -0.3461 -1.3395 -3.9442 H 1 UNL111111111 0.1481 62 H -0.9875 -2.9735 -3.7843 H 1 UNL111111111 0.1536 63 H 1.3520 -4.1233 -3.8929 H 1 UNL111111111 0.1449 64 H 1.9048 -2.5021 -4.3216 H 1 UNL111111111 0.1439 65 H 2.6853 -3.3775 -3.0020 H 1 UNL111111111 0.1591 66 H 1.5459 1.3240 -2.7124 H 1 UNL111111111 0.1714 67 H 0.0812 0.8765 -3.6809 H 1 UNL111111111 0.1441 68 H -0.5384 1.6098 0.3084 H 1 UNL111111111 0.1791 69 H -1.8793 3.4661 -1.4115 H 1 UNL111111111 0.1830 70 H -0.3386 3.2599 -3.6027 H 1 UNL111111111 0.1645 71 H 0.1927 5.6871 -0.7306 H 1 UNL111111111 0.1566 72 H 1.1789 5.5563 -2.1955 H 1 UNL111111111 0.1517 73 H -0.5808 5.4541 -2.3013 H 1 UNL111111111 0.1483 74 H 1.7423 2.2047 -0.6026 H 1 UNL111111111 0.1758 75 H 2.4855 3.7430 -0.9949 H 1 UNL111111111 0.1559 76 H 1.4090 3.6197 0.4088 H 1 UNL111111111 0.1534 77 H -1.9297 -0.3406 0.8095 H 1 UNL111111111 0.3565 78 H -4.6302 -0.1653 -0.4810 H 1 UNL111111111 0.1603 79 H -4.3819 -2.2296 1.6486 H 1 UNL111111111 0.1730 80 H -4.8809 -2.3678 -0.0400 H 1 UNL111111111 0.1417 81 H -2.2744 -2.2648 -0.5854 H 1 UNL111111111 0.1423 82 H -3.9344 -4.6184 0.3886 H 1 UNL111111111 0.1370 83 H -2.5802 -4.6664 -0.7456 H 1 UNL111111111 0.1335 84 H -0.8122 -2.4868 1.3706 H 1 UNL111111111 0.1576 85 H -2.2062 -2.4687 2.4545 H 1 UNL111111111 0.1541 86 H -2.3789 -4.9121 2.2601 H 1 UNL111111111 0.1365 87 H -1.0165 -4.9292 1.1335 H 1 UNL111111111 0.1325 88 H -3.9687 0.4939 3.4817 H 1 UNL111111111 0.3481 89 H -5.7779 -0.2009 1.7667 H 1 UNL111111111 0.1490 90 H -5.1820 3.4141 0.5632 H 1 UNL111111111 0.3063 91 H -4.8912 2.0121 -0.3620 H 1 UNL111111111 0.3352 @BOND 1 1 3 am 2 1 2 2 3 3 4 1 4 3 41 1 5 4 6 1 6 4 10 1 7 5 4 1 8 5 42 1 9 5 43 1 10 5 44 1 11 6 7 1 12 6 45 1 13 6 46 1 14 7 8 1 15 7 47 1 16 7 48 1 17 8 49 1 18 8 50 1 19 9 8 1 20 9 51 1 21 9 52 1 22 10 9 1 23 10 53 1 24 10 54 1 25 11 12 1 26 11 1 am 27 11 55 1 28 12 17 1 29 12 56 1 30 13 14 1 31 13 12 1 32 14 57 1 33 14 58 1 34 14 59 1 35 15 13 1 36 15 60 1 37 15 61 1 38 15 62 1 39 16 13 1 40 16 63 1 41 16 64 1 42 16 65 1 43 17 18 2 44 17 19 am 45 19 20 1 46 19 21 1 47 20 23 1 48 20 66 1 49 20 67 1 50 21 22 1 51 21 68 1 52 22 24 1 53 22 69 1 54 23 22 1 55 23 24 1 56 23 70 1 57 24 25 1 58 25 71 1 59 25 72 1 60 25 73 1 61 26 24 1 62 26 74 1 63 26 75 1 64 26 76 1 65 27 29 am 66 27 21 1 67 28 27 2 68 29 77 1 69 30 29 1 70 30 37 1 71 30 78 1 72 31 30 1 73 31 79 1 74 31 80 1 75 32 31 1 76 32 81 1 77 33 32 1 78 33 82 1 79 33 83 1 80 34 32 1 81 34 84 1 82 34 85 1 83 35 33 1 84 35 34 1 85 35 86 1 86 35 87 1 87 36 88 1 88 37 36 1 89 37 89 1 90 38 39 2 91 39 37 1 92 40 39 am 93 40 90 1 94 40 91 1