@MOLECULE methyl [(2s)-1-(2-{3-[(3r,6s,10z)-3-hydroxy-6-isopropyl-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(3-pyridinyl)benzyl]hydrazino)-3,3-dimethyl-1-oxo-2-butanyl ]carbamate (non-preferred name) 107 110 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.8752 -3.3084 0.0316 C.ar 1 UNL111111111 -0.1808 2 C -4.5304 -3.0851 0.3005 C.ar 1 UNL111111111 -0.1251 3 C -3.7082 -2.5076 -0.6713 C.ar 1 UNL111111111 -0.0214 4 C -2.2778 -2.2170 -0.3522 C.3 1 UNL111111111 -0.3239 5 C -4.2336 -2.1882 -1.9231 C.ar 1 UNL111111111 -0.1445 6 C -5.5822 -2.4106 -2.1926 C.ar 1 UNL111111111 -0.1882 7 C -6.4111 -2.9482 -1.2082 C.ar 1 UNL111111111 0.0212 8 C -7.8853 -3.1041 -1.4479 C.3 1 UNL111111111 -0.2980 9 C -8.6628 -2.4122 -0.3674 C.2 1 UNL111111111 -0.1307 10 C -8.6097 -1.1041 -0.1014 C.2 1 UNL111111111 -0.1921 11 C -7.8011 -0.1080 -0.8780 C.3 1 UNL111111111 -0.0695 12 N -6.6778 0.3738 -0.0580 N.am 1 UNL111111111 -0.5780 13 C -6.0107 1.5020 -0.4683 C.2 1 UNL111111111 0.5439 14 O -6.4032 2.1754 -1.4005 O.2 1 UNL111111111 -0.5530 15 C -4.7799 1.8790 0.3855 C.3 1 UNL111111111 -0.0131 16 C -4.4368 3.3769 0.1806 C.3 1 UNL111111111 -0.0706 17 C -5.5478 4.2264 0.8055 C.3 1 UNL111111111 -0.4577 18 C -3.0893 3.7230 0.8217 C.3 1 UNL111111111 -0.4518 19 N -3.6690 1.0195 -0.0155 N.am 1 UNL111111111 -0.5694 20 C -3.4224 -0.1450 0.6632 C.2 1 UNL111111111 0.5571 21 O -4.1965 -0.5520 1.5142 O.2 1 UNL111111111 -0.5894 22 C -2.0905 -0.8611 0.3629 C.3 1 UNL111111111 0.2712 23 O -1.3856 -0.0223 -0.5214 O.3 1 UNL111111111 -0.6313 24 C -1.3341 -1.0010 1.6920 C.3 1 UNL111111111 -0.3263 25 C -1.0830 0.3733 2.3272 C.3 1 UNL111111111 -0.2615 26 C 0.1407 0.3409 3.2575 C.3 1 UNL111111111 -0.1373 27 N 1.3320 -0.0689 2.4525 N.3 1 UNL111111111 -0.2064 28 N 1.8322 1.0482 1.7427 N.am 1 UNL111111111 -0.4803 29 C 1.8891 0.9281 0.3632 C.2 1 UNL111111111 0.5846 30 O 1.2942 0.0921 -0.2843 O.2 1 UNL111111111 -0.5371 31 C 2.7654 1.9851 -0.3474 C.3 1 UNL111111111 -0.0301 32 C 1.8829 3.2024 -0.7949 C.3 1 UNL111111111 0.1237 33 C 1.3050 3.8668 0.4635 C.3 1 UNL111111111 -0.4790 34 C 2.7852 4.2039 -1.5273 C.3 1 UNL111111111 -0.4589 35 C 0.7411 2.7624 -1.7134 C.3 1 UNL111111111 -0.4655 36 N 3.3694 1.3142 -1.4924 N.am 1 UNL111111111 -0.5704 37 C 4.7386 1.2095 -1.5728 C.2 1 UNL111111111 0.7231 38 O 5.5398 1.7318 -0.8284 O.2 1 UNL111111111 -0.5704 39 O 5.0581 0.4371 -2.6570 O.3 1 UNL111111111 -0.4089 40 C 6.3843 0.6103 -3.1497 C.3 1 UNL111111111 -0.1649 41 C 2.4003 -0.6390 3.3343 C.3 1 UNL111111111 -0.1751 42 C 3.6257 -0.9207 2.5107 C.ar 1 UNL111111111 -0.0299 43 C 4.8312 -0.2848 2.8024 C.ar 1 UNL111111111 -0.1660 44 C 5.9480 -0.5181 2.0059 C.ar 1 UNL111111111 -0.1368 45 C 3.5371 -1.7941 1.4254 C.ar 1 UNL111111111 -0.1230 46 C 4.6514 -2.0256 0.6273 C.ar 1 UNL111111111 -0.1508 47 C 5.8630 -1.3902 0.9161 C.ar 1 UNL111111111 -0.0034 48 C 7.0374 -1.6311 0.0804 C.ar 1 UNL111111111 -0.1013 49 C 7.3649 -2.9166 -0.3583 C.ar 1 UNL111111111 -0.0845 50 C 8.5003 -3.1027 -1.1422 C.ar 1 UNL111111111 -0.2401 51 C 9.2814 -1.9865 -1.4647 C.ar 1 UNL111111111 0.0463 52 N 8.9680 -0.7407 -1.0592 N.ar 1 UNL111111111 -0.3750 53 C 7.8709 -0.5642 -0.3042 C.ar 1 UNL111111111 0.0510 54 H -6.5176 -3.7400 0.7956 H 1 UNL111111111 0.1527 55 H -4.1248 -3.3272 1.2817 H 1 UNL111111111 0.1571 56 H -1.8431 -3.0359 0.2548 H 1 UNL111111111 0.1567 57 H -1.6645 -2.1969 -1.2835 H 1 UNL111111111 0.1792 58 H -3.5951 -1.7449 -2.6862 H 1 UNL111111111 0.1585 59 H -5.9860 -2.1468 -3.1672 H 1 UNL111111111 0.1520 60 H -8.1788 -2.7063 -2.4436 H 1 UNL111111111 0.1602 61 H -8.1409 -4.1850 -1.4902 H 1 UNL111111111 0.1552 62 H -9.2951 -3.0740 0.2252 H 1 UNL111111111 0.1424 63 H -9.1730 -0.6717 0.7261 H 1 UNL111111111 0.1539 64 H -7.4149 -0.5307 -1.8357 H 1 UNL111111111 0.1465 65 H -8.4368 0.7675 -1.1684 H 1 UNL111111111 0.1647 66 H -6.2436 -0.2817 0.5869 H 1 UNL111111111 0.3397 67 H -5.0183 1.6971 1.4722 H 1 UNL111111111 0.1771 68 H -4.3953 3.5882 -0.9179 H 1 UNL111111111 0.1591 69 H -3.0455 1.3422 -0.7449 H 1 UNL111111111 0.3409 70 H -5.6340 4.0628 1.8841 H 1 UNL111111111 0.1417 71 H -5.3661 5.2943 0.6453 H 1 UNL111111111 0.1444 72 H -6.5232 3.9996 0.3503 H 1 UNL111111111 0.1658 73 H -2.2532 3.2354 0.3081 H 1 UNL111111111 0.1455 74 H -2.9064 4.8026 0.7862 H 1 UNL111111111 0.1431 75 H -3.0546 3.4165 1.8727 H 1 UNL111111111 0.1451 76 H -0.4126 -0.0460 -0.3479 H 1 UNL111111111 0.3801 77 H -1.9034 -1.6491 2.3848 H 1 UNL111111111 0.1615 78 H -0.3651 -1.5127 1.5006 H 1 UNL111111111 0.1781 79 H -0.9274 1.1388 1.5385 H 1 UNL111111111 0.1590 80 H -1.9760 0.6991 2.8953 H 1 UNL111111111 0.1480 81 H 0.2703 1.3211 3.7568 H 1 UNL111111111 0.1261 82 H -0.0186 -0.4147 4.0562 H 1 UNL111111111 0.1432 83 H 2.4600 1.6742 2.2392 H 1 UNL111111111 0.2976 84 H 2.6334 0.0019 4.2107 H 1 UNL111111111 0.1303 85 H 1.9891 -1.5956 3.7393 H 1 UNL111111111 0.1686 86 H 3.5769 2.3658 0.3330 H 1 UNL111111111 0.1813 87 H 2.7561 0.7498 -2.0732 H 1 UNL111111111 0.3445 88 H 2.0866 4.1592 1.1704 H 1 UNL111111111 0.1422 89 H 0.7553 4.7793 0.2004 H 1 UNL111111111 0.1587 90 H 0.5954 3.2133 0.9840 H 1 UNL111111111 0.1535 91 H 3.1976 3.7724 -2.4480 H 1 UNL111111111 0.1571 92 H 2.2317 5.1046 -1.8115 H 1 UNL111111111 0.1467 93 H 3.6353 4.5162 -0.9103 H 1 UNL111111111 0.1500 94 H 0.0836 2.0207 -1.2388 H 1 UNL111111111 0.1658 95 H 0.1124 3.6139 -1.9983 H 1 UNL111111111 0.1516 96 H 1.1127 2.3144 -2.6420 H 1 UNL111111111 0.1530 97 H 7.1095 0.8137 -2.3513 H 1 UNL111111111 0.1616 98 H 6.5989 -0.3517 -3.6297 H 1 UNL111111111 0.1468 99 H 6.3696 1.4296 -3.8763 H 1 UNL111111111 0.1345 100 H 4.9074 0.3977 3.6460 H 1 UNL111111111 0.1489 101 H 2.5820 -2.2662 1.1873 H 1 UNL111111111 0.1719 102 H 6.8896 -0.0187 2.2323 H 1 UNL111111111 0.1608 103 H 4.5737 -2.6898 -0.2325 H 1 UNL111111111 0.1606 104 H 6.7392 -3.7656 -0.0821 H 1 UNL111111111 0.1615 105 H 7.6419 0.4739 -0.0144 H 1 UNL111111111 0.1946 106 H 8.7776 -4.0913 -1.4945 H 1 UNL111111111 0.1634 107 H 10.1895 -2.0748 -2.0699 H 1 UNL111111111 0.1662 @BOND 1 1 2 ar 2 1 7 ar 3 1 54 1 4 2 3 ar 5 2 55 1 6 3 4 1 7 3 5 ar 8 4 22 1 9 4 56 1 10 4 57 1 11 5 6 ar 12 5 58 1 13 6 7 ar 14 6 59 1 15 7 8 1 16 8 9 1 17 8 60 1 18 8 61 1 19 9 10 2 20 9 62 1 21 10 11 1 22 10 63 1 23 11 12 1 24 11 64 1 25 11 65 1 26 12 13 am 27 12 66 1 28 13 14 2 29 13 15 1 30 15 16 1 31 15 19 1 32 15 67 1 33 16 17 1 34 16 18 1 35 16 68 1 36 17 70 1 37 17 71 1 38 17 72 1 39 18 73 1 40 18 74 1 41 18 75 1 42 19 20 am 43 19 69 1 44 20 21 2 45 20 22 1 46 22 23 1 47 22 24 1 48 23 76 1 49 24 25 1 50 24 77 1 51 24 78 1 52 25 26 1 53 25 79 1 54 25 80 1 55 26 27 1 56 26 81 1 57 26 82 1 58 27 28 1 59 27 41 1 60 28 29 am 61 28 83 1 62 29 30 2 63 29 31 1 64 31 32 1 65 31 36 1 66 31 86 1 67 32 33 1 68 32 34 1 69 32 35 1 70 33 88 1 71 33 89 1 72 33 90 1 73 34 91 1 74 34 92 1 75 34 93 1 76 35 94 1 77 35 95 1 78 35 96 1 79 36 37 am 80 36 87 1 81 37 38 2 82 37 39 1 83 39 40 1 84 40 97 1 85 40 98 1 86 40 99 1 87 41 42 1 88 41 84 1 89 41 85 1 90 42 43 ar 91 42 45 ar 92 43 44 ar 93 43 100 1 94 44 47 ar 95 44 102 1 96 45 46 ar 97 45 101 1 98 46 47 ar 99 46 103 1 100 47 48 1 101 48 49 ar 102 48 53 ar 103 49 50 ar 104 49 104 1 105 50 51 ar 106 50 106 1 107 51 52 ar 108 51 107 1 109 52 53 ar 110 53 105 1