@MOLECULE (2s,5s,8s,11s,15s)-5-benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone 83 85 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.2343 -4.1747 -1.4153 S.2 1 UNL111111111 0.1510 2 O 2.1537 1.1000 1.4692 O.2 1 UNL111111111 -0.4824 3 O -2.6158 2.5486 0.2080 O.3 1 UNL111111111 -0.3829 4 O -0.2235 2.8829 1.1527 O.2 1 UNL111111111 -0.4411 5 O 0.2130 -0.9006 0.3495 O.2 1 UNL111111111 -0.4545 6 O -4.2017 2.5606 -1.3861 O.2 1 UNL111111111 -0.5156 7 O -5.3932 -2.0126 -1.2853 O.2 1 UNL111111111 -0.5297 8 N 0.7406 2.8544 -0.8989 N.am 1 UNL111111111 -0.5145 9 N 2.5519 0.2339 -0.5939 N.am 1 UNL111111111 -0.4827 10 N 1.0991 -2.9735 0.6242 N.am 1 UNL111111111 -0.6537 11 N -4.1868 -0.6402 0.0714 N.am 1 UNL111111111 -0.5842 12 N -2.3227 -2.6663 0.3824 N.ar 1 UNL111111111 -0.3493 13 C 2.0907 2.6962 -0.3449 C.3 1 UNL111111111 0.0094 14 C 2.4772 3.7511 0.7297 C.3 1 UNL111111111 -0.0941 15 C 2.5966 -1.1345 -0.0623 C.3 1 UNL111111111 0.0126 16 C 2.1924 1.2811 0.2767 C.2 1 UNL111111111 0.5734 17 C 3.9589 3.5966 1.0884 C.3 1 UNL111111111 -0.4558 18 C 2.2059 5.1713 0.2266 C.3 1 UNL111111111 -0.4506 19 C 3.5862 -1.2747 1.1193 C.3 1 UNL111111111 -0.3131 20 C -0.3537 2.9910 -0.0410 C.2 1 UNL111111111 0.5376 21 C 1.1867 -1.6102 0.3435 C.2 1 UNL111111111 0.5402 22 C 0.6829 3.3457 -2.2802 C.3 1 UNL111111111 -0.2334 23 C 2.1137 0.2805 -1.9981 C.3 1 UNL111111111 -0.2347 24 C -1.7283 3.2378 -0.6784 C.3 1 UNL111111111 0.0715 25 C 4.9669 -1.3923 0.5576 C.ar 1 UNL111111111 0.0206 26 C -0.1344 -3.5416 1.1928 C.3 1 UNL111111111 0.1386 27 C -5.2814 0.3187 0.2673 C.3 1 UNL111111111 0.1294 28 C -4.6756 1.6332 0.8088 C.3 1 UNL111111111 -0.3856 29 C -2.0476 4.7248 -0.6226 C.3 1 UNL111111111 -0.4875 30 C -6.3699 -0.2293 1.2183 C.3 1 UNL111111111 -0.2926 31 C 5.4561 -2.6489 0.1956 C.ar 1 UNL111111111 -0.1909 32 C 5.7337 -0.2495 0.3292 C.ar 1 UNL111111111 -0.1481 33 C -1.2498 -3.3852 0.1962 C.ar 1 UNL111111111 0.0726 34 C -3.8606 2.2850 -0.2655 C.2 1 UNL111111111 0.6091 35 C -0.4993 -2.8705 2.5250 C.3 1 UNL111111111 -0.4652 36 C 6.6970 -2.7565 -0.4250 C.ar 1 UNL111111111 -0.1378 37 C 6.9784 -0.3624 -0.2849 C.ar 1 UNL111111111 -0.1416 38 C -3.1665 -2.6607 -0.7337 C.ar 1 UNL111111111 -0.0014 39 C -4.3670 -1.7763 -0.6777 C.2 1 UNL111111111 0.5996 40 C -5.8858 -0.4775 2.6430 C.3 1 UNL111111111 -0.4320 41 C 7.4581 -1.6139 -0.6676 C.ar 1 UNL111111111 -0.1672 42 C -2.7609 -3.4290 -1.7872 C.ar 1 UNL111111111 -0.2607 43 H 2.8396 2.7696 -1.1808 H 1 UNL111111111 0.1508 44 H 1.8586 3.5593 1.6488 H 1 UNL111111111 0.1923 45 H 2.9645 -1.8067 -0.8931 H 1 UNL111111111 0.1613 46 H 4.6138 3.7330 0.2242 H 1 UNL111111111 0.1351 47 H 4.2542 4.3317 1.8445 H 1 UNL111111111 0.1506 48 H 4.1601 2.6041 1.5136 H 1 UNL111111111 0.1591 49 H 2.7476 5.3917 -0.6962 H 1 UNL111111111 0.1344 50 H 2.5139 5.9131 0.9741 H 1 UNL111111111 0.1482 51 H 1.1382 5.3319 0.0428 H 1 UNL111111111 0.1439 52 H 3.3315 -2.1483 1.7483 H 1 UNL111111111 0.1521 53 H 3.5021 -0.4142 1.8225 H 1 UNL111111111 0.2083 54 H 0.2931 2.5474 -2.9421 H 1 UNL111111111 0.1512 55 H 1.6803 3.6350 -2.6482 H 1 UNL111111111 0.1435 56 H 0.0486 4.2420 -2.3819 H 1 UNL111111111 0.1421 57 H 1.0097 0.3028 -2.0911 H 1 UNL111111111 0.1591 58 H 2.4870 -0.5975 -2.5537 H 1 UNL111111111 0.1430 59 H 2.5369 1.1693 -2.4939 H 1 UNL111111111 0.1428 60 H -1.8239 2.8058 -1.6988 H 1 UNL111111111 0.1623 61 H 1.9186 -3.5558 0.6547 H 1 UNL111111111 0.3094 62 H 0.0497 -4.6413 1.3720 H 1 UNL111111111 0.1449 63 H -5.7525 0.5075 -0.7431 H 1 UNL111111111 0.1696 64 H -4.0638 1.4495 1.7214 H 1 UNL111111111 0.1969 65 H -5.4847 2.3240 1.1253 H 1 UNL111111111 0.1819 66 H -1.2787 5.3379 -1.1007 H 1 UNL111111111 0.1492 67 H -3.0030 4.9437 -1.1209 H 1 UNL111111111 0.1715 68 H -2.1434 5.0619 0.4215 H 1 UNL111111111 0.1752 69 H -6.7614 -1.1797 0.7885 H 1 UNL111111111 0.1673 70 H -7.2268 0.4697 1.2211 H 1 UNL111111111 0.1367 71 H 4.8712 -3.5424 0.3937 H 1 UNL111111111 0.1437 72 H 5.3449 0.7297 0.6121 H 1 UNL111111111 0.1621 73 H -1.3671 -3.3504 2.9884 H 1 UNL111111111 0.1606 74 H 0.3344 -2.8951 3.2321 H 1 UNL111111111 0.1521 75 H -0.7747 -1.8082 2.3757 H 1 UNL111111111 0.2002 76 H -3.3328 -0.5071 0.6070 H 1 UNL111111111 0.3418 77 H -5.0165 -1.1472 2.6565 H 1 UNL111111111 0.1581 78 H -5.6043 0.4482 3.1558 H 1 UNL111111111 0.1379 79 H -6.6668 -0.9559 3.2452 H 1 UNL111111111 0.1375 80 H 7.0698 -3.7334 -0.7241 H 1 UNL111111111 0.1447 81 H 7.5723 0.5286 -0.4755 H 1 UNL111111111 0.1467 82 H 8.4261 -1.7001 -1.1546 H 1 UNL111111111 0.1468 83 H -3.2747 -3.5682 -2.7248 H 1 UNL111111111 0.2024 @BOND 1 1 33 ar 2 1 42 ar 3 2 16 2 4 3 24 1 5 3 34 1 6 4 20 2 7 5 21 2 8 6 34 2 9 7 39 2 10 8 13 1 11 8 20 am 12 8 22 1 13 9 15 1 14 9 16 am 15 9 23 1 16 10 21 am 17 10 26 1 18 10 61 1 19 11 27 1 20 11 39 am 21 11 76 1 22 12 33 ar 23 12 38 ar 24 13 14 1 25 13 16 1 26 13 43 1 27 14 17 1 28 14 18 1 29 14 44 1 30 15 19 1 31 15 21 1 32 15 45 1 33 17 46 1 34 17 47 1 35 17 48 1 36 18 49 1 37 18 50 1 38 18 51 1 39 19 25 1 40 19 52 1 41 19 53 1 42 20 24 1 43 22 54 1 44 22 55 1 45 22 56 1 46 23 57 1 47 23 58 1 48 23 59 1 49 24 29 1 50 24 60 1 51 25 31 ar 52 25 32 ar 53 26 33 1 54 26 35 1 55 26 62 1 56 27 28 1 57 27 30 1 58 27 63 1 59 28 34 1 60 28 64 1 61 28 65 1 62 29 66 1 63 29 67 1 64 29 68 1 65 30 40 1 66 30 69 1 67 30 70 1 68 31 36 ar 69 31 71 1 70 32 37 ar 71 32 72 1 72 35 73 1 73 35 74 1 74 35 75 1 75 36 41 ar 76 36 80 1 77 37 41 ar 78 37 81 1 79 38 39 1 80 38 42 ar 81 40 77 1 82 40 78 1 83 40 79 1 84 41 82 1 85 42 83 1