@MOLECULE (2s,4s)-4-hydroxy-n-isobutyl-2-isopropyl-4-[(4s,13s)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]butanamide 97 100 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.9344 -3.7707 -1.0647 N.am 1 UNL1111111111 -0.6013 2 C 1.4917 -2.6067 -1.8307 C.3 1 UNL1111111111 0.0101 3 C 2.3453 -1.3400 -1.5247 C.3 1 UNL1111111111 0.1163 4 C 2.4272 -0.4075 -2.7393 C.3 1 UNL1111111111 -0.3351 5 C 2.2008 1.0547 -2.3283 C.3 1 UNL1111111111 -0.2092 6 C 0.7254 1.3809 -2.5169 C.2 1 UNL1111111111 0.5852 7 C -0.0087 -2.2910 -1.6028 C.3 1 UNL1111111111 -0.0801 8 O 3.6398 -1.7111 -1.1134 O.3 1 UNL1111111111 -0.5674 9 C 3.0778 2.0400 -3.1369 C.3 1 UNL1111111111 -0.0521 10 C 2.8595 1.9343 -4.6468 C.3 1 UNL1111111111 -0.4612 11 C 2.8076 3.4742 -2.6630 C.3 1 UNL1111111111 -0.4676 12 O 0.1663 1.3729 -3.5992 O.2 1 UNL1111111111 -0.5804 13 O -0.5963 -2.3743 -2.8929 O.3 1 UNL1111111111 -0.3880 14 C -1.3498 2.1639 -1.4755 C.3 1 UNL1111111111 -0.0908 15 C -1.3592 3.6921 -1.7307 C.3 1 UNL1111111111 -0.0922 16 C -2.8145 4.1610 -1.8146 C.3 1 UNL1111111111 -0.4567 17 C -0.6196 4.4504 -0.6258 C.3 1 UNL1111111111 -0.4577 18 N 0.0065 1.6217 -1.3636 N.am 1 UNL1111111111 -0.6051 19 C 1.7681 -2.7650 1.2152 C.ar 1 UNL1111111111 -0.0596 20 C 2.6410 -1.7440 1.5745 C.ar 1 UNL1111111111 -0.1721 21 C 2.1973 -0.7287 2.4335 C.ar 1 UNL1111111111 0.1943 22 C 0.8828 -0.7572 2.9287 C.ar 1 UNL1111111111 -0.1666 23 C 0.0249 -1.7753 2.5299 C.ar 1 UNL1111111111 -0.0877 24 C 0.4719 -2.8185 1.7205 C.ar 1 UNL1111111111 -0.1582 25 C 2.2111 -3.8448 0.2905 C.2 1 UNL1111111111 0.5845 26 C -1.4329 -1.5640 2.8114 C.2 1 UNL1111111111 0.5836 27 N 3.0209 0.3606 2.8315 N.pl3 1 UNL1111111111 -0.7200 28 C 4.4662 0.0831 2.8581 C.3 1 UNL1111111111 -0.2368 29 S 2.5467 1.9402 2.2165 S.O2 1 UNL1111111111 2.3988 30 C 1.5594 2.6035 3.5209 C.3 1 UNL1111111111 -0.7517 31 O -1.8943 -1.1234 3.8366 O.2 1 UNL1111111111 -0.4909 32 O 2.7431 -4.8580 0.7023 O.2 1 UNL1111111111 -0.5135 33 O 3.7544 2.7101 2.0772 O.2 1 UNL1111111111 -0.9005 34 O 1.6860 1.7157 1.0714 O.2 1 UNL1111111111 -0.9712 35 N -2.1895 -1.7971 1.6718 N.am 1 UNL1111111111 -0.6258 36 C -3.4794 -1.1403 1.3913 C.3 1 UNL1111111111 0.0906 37 C -3.7456 -1.4132 -0.0799 C.ar 1 UNL1111111111 -0.0372 38 C -2.7937 -1.5721 -2.2985 C.ar 1 UNL1111111111 -0.0171 39 C -3.9258 -2.2702 -2.7238 C.ar 1 UNL1111111111 -0.1508 40 C -4.9760 -2.5000 -1.8376 C.ar 1 UNL1111111111 -0.1347 41 C -4.8768 -2.1034 -0.5027 C.ar 1 UNL1111111111 -0.1562 42 C -2.7495 -1.0740 -0.9990 C.ar 1 UNL1111111111 -0.1894 43 C -1.5934 -1.4076 -3.1847 C.3 1 UNL1111111111 -0.0616 44 C -3.4741 0.3574 1.6286 C.ar 1 UNL1111111111 -0.0270 45 C -4.7098 0.9972 1.7599 C.ar 1 UNL1111111111 -0.1586 46 C -4.7664 2.3714 1.9699 C.ar 1 UNL1111111111 -0.1291 47 C -3.5893 3.1133 2.0683 C.ar 1 UNL1111111111 -0.1657 48 C -2.3586 2.4757 1.9413 C.ar 1 UNL1111111111 -0.1478 49 C -2.2996 1.1027 1.7050 C.ar 1 UNL1111111111 -0.1538 50 H 2.2059 -4.5802 -1.6174 H 1 UNL1111111111 0.3196 51 H 1.6123 -2.8748 -2.9218 H 1 UNL1111111111 0.1686 52 H 1.9647 -0.8093 -0.6172 H 1 UNL1111111111 0.1640 53 H 3.4211 -0.5170 -3.2164 H 1 UNL1111111111 0.1598 54 H 1.6951 -0.6915 -3.5260 H 1 UNL1111111111 0.1785 55 H 2.4889 1.1839 -1.2489 H 1 UNL1111111111 0.1775 56 H -0.5009 -3.0607 -0.9831 H 1 UNL1111111111 0.1379 57 H -0.1510 -1.2978 -1.1445 H 1 UNL1111111111 0.1389 58 H 4.0913 -2.2679 -1.7763 H 1 UNL1111111111 0.3210 59 H 4.1464 1.7902 -2.9139 H 1 UNL1111111111 0.1329 60 H 1.8119 2.1419 -4.9165 H 1 UNL1111111111 0.1786 61 H 3.4858 2.6484 -5.1906 H 1 UNL1111111111 0.1391 62 H 3.0869 0.9335 -5.0246 H 1 UNL1111111111 0.1405 63 H 2.9648 3.5776 -1.5832 H 1 UNL1111111111 0.1484 64 H 3.4700 4.1877 -3.1635 H 1 UNL1111111111 0.1469 65 H 1.7771 3.7800 -2.8812 H 1 UNL1111111111 0.1516 66 H -1.9049 1.9303 -0.5412 H 1 UNL1111111111 0.1440 67 H -1.8831 1.6535 -2.3131 H 1 UNL1111111111 0.1559 68 H -0.8509 3.8840 -2.7074 H 1 UNL1111111111 0.1467 69 H -3.3569 3.9604 -0.8836 H 1 UNL1111111111 0.1449 70 H -2.8732 5.2386 -2.0029 H 1 UNL1111111111 0.1447 71 H -3.3514 3.6561 -2.6260 H 1 UNL1111111111 0.1497 72 H -1.0849 4.2893 0.3512 H 1 UNL1111111111 0.1396 73 H 0.4280 4.1337 -0.5548 H 1 UNL1111111111 0.1509 74 H -0.6230 5.5282 -0.8186 H 1 UNL1111111111 0.1396 75 H 0.4810 1.7363 -0.4701 H 1 UNL1111111111 0.3476 76 H 3.6534 -1.7281 1.1607 H 1 UNL1111111111 0.1911 77 H 0.5212 0.0067 3.6175 H 1 UNL1111111111 0.1729 78 H -0.1786 -3.6602 1.4779 H 1 UNL1111111111 0.1742 79 H 4.9271 0.0011 1.8578 H 1 UNL1111111111 0.1449 80 H 4.9917 0.8905 3.4037 H 1 UNL1111111111 0.1621 81 H 4.6537 -0.8584 3.4067 H 1 UNL1111111111 0.1563 82 H 1.6577 2.0427 4.4638 H 1 UNL1111111111 0.2015 83 H 1.8441 3.6404 3.7580 H 1 UNL1111111111 0.1966 84 H 0.4861 2.6146 3.2736 H 1 UNL1111111111 0.2005 85 H -1.7197 -2.1796 0.8530 H 1 UNL1111111111 0.3175 86 H -4.2549 -1.6154 2.0560 H 1 UNL1111111111 0.1689 87 H -3.9834 -2.6456 -3.7441 H 1 UNL1111111111 0.1550 88 H -5.8678 -3.0209 -2.1795 H 1 UNL1111111111 0.1490 89 H -5.6714 -2.3489 0.1979 H 1 UNL1111111111 0.1537 90 H -1.9198 -0.4339 -0.6876 H 1 UNL1111111111 0.1695 91 H -1.1614 -0.3858 -3.1338 H 1 UNL1111111111 0.1693 92 H -1.8049 -1.6363 -4.2489 H 1 UNL1111111111 0.1525 93 H -5.6318 0.4219 1.6941 H 1 UNL1111111111 0.1534 94 H -5.7307 2.8674 2.0645 H 1 UNL1111111111 0.1505 95 H -3.6347 4.1855 2.2427 H 1 UNL1111111111 0.1485 96 H -1.4372 3.0492 2.0184 H 1 UNL1111111111 0.1453 97 H -1.3252 0.6287 1.5813 H 1 UNL1111111111 0.1641 @BOND 1 1 25 am 2 1 50 1 3 2 1 1 4 2 51 1 5 3 2 1 6 3 4 1 7 3 52 1 8 4 53 1 9 4 54 1 10 5 4 1 11 5 6 1 12 5 9 1 13 5 55 1 14 6 12 2 15 7 2 1 16 7 13 1 17 7 56 1 18 7 57 1 19 8 3 1 20 8 58 1 21 9 59 1 22 10 9 1 23 10 60 1 24 10 61 1 25 10 62 1 26 11 9 1 27 11 63 1 28 11 64 1 29 11 65 1 30 14 66 1 31 14 67 1 32 15 14 1 33 15 68 1 34 16 15 1 35 16 69 1 36 16 70 1 37 16 71 1 38 17 15 1 39 17 72 1 40 17 73 1 41 17 74 1 42 18 6 am 43 18 14 1 44 18 75 1 45 19 20 ar 46 20 21 ar 47 20 76 1 48 21 27 1 49 22 21 ar 50 22 77 1 51 23 22 ar 52 24 19 ar 53 24 23 ar 54 24 78 1 55 25 19 1 56 25 32 2 57 26 23 1 58 26 31 2 59 27 28 1 60 28 79 1 61 28 80 1 62 28 81 1 63 29 27 1 64 29 34 2 65 30 29 1 66 30 82 1 67 30 83 1 68 30 84 1 69 33 29 2 70 35 26 am 71 35 85 1 72 36 35 1 73 36 37 1 74 36 86 1 75 37 41 ar 76 38 39 ar 77 39 40 ar 78 39 87 1 79 40 88 1 80 41 40 ar 81 41 89 1 82 42 37 ar 83 42 38 ar 84 42 90 1 85 43 13 1 86 43 38 1 87 43 91 1 88 43 92 1 89 44 36 1 90 45 44 ar 91 45 93 1 92 46 45 ar 93 46 94 1 94 47 46 ar 95 47 48 ar 96 47 95 1 97 48 49 ar 98 48 96 1 99 49 44 ar 100 49 97 1