@MOLECULE (3r,6s,9s,13s)-9-benzyl-3-[(2s)-2-butanyl]-13-[(2s)-2-hexanyl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone 76 77 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5093 -0.7052 0.2291 O.3 1 UNL1111111111 -0.4637 2 O 2.8762 -1.4597 -1.4001 O.2 1 UNL1111111111 -0.4963 3 O -0.6042 0.6295 -2.1388 O.2 1 UNL1111111111 -0.5150 4 O 3.1849 1.7129 2.2097 O.2 1 UNL1111111111 -0.5212 5 O -0.7432 3.7348 -0.0383 O.2 1 UNL1111111111 -0.5118 6 N 2.2978 1.7189 0.1209 N.am 1 UNL1111111111 -0.5775 7 N -1.5672 0.3029 -0.1329 N.am 1 UNL1111111111 -0.6381 8 N -0.1468 2.1530 1.4731 N.am 1 UNL1111111111 -0.5979 9 C 1.1868 -3.1513 0.2332 C.3 1 UNL1111111111 -0.1359 10 C 0.5519 -1.7513 0.1250 C.3 1 UNL1111111111 0.1558 11 C 0.0614 -4.1948 0.3442 C.3 1 UNL1111111111 -0.2869 12 C 3.2461 0.7519 -0.4098 C.3 1 UNL1111111111 0.0075 13 C -0.2617 -1.5354 -1.1611 C.3 1 UNL1111111111 -0.4272 14 C 3.8316 1.2387 -1.7622 C.3 1 UNL1111111111 -0.0916 15 C 0.5991 -5.6288 0.3992 C.3 1 UNL1111111111 -0.2654 16 C 2.0932 -3.1940 1.4661 C.3 1 UNL1111111111 -0.4402 17 C 2.5581 -0.6011 -0.6253 C.2 1 UNL1111111111 0.5778 18 C 4.6041 2.5574 -1.5739 C.3 1 UNL1111111111 -0.2526 19 C -0.5683 -6.6256 0.4184 C.3 1 UNL1111111111 -0.2542 20 C -0.8235 -0.1349 -1.2262 C.2 1 UNL1111111111 0.6037 21 C 2.7343 1.4312 -2.8127 C.3 1 UNL1111111111 -0.4637 22 C -2.0378 1.6899 -0.0813 C.3 1 UNL1111111111 0.0336 23 C 1.0581 2.8698 1.9012 C.3 1 UNL1111111111 0.0302 24 C 2.2908 2.0418 1.4616 C.2 1 UNL1111111111 0.5387 25 C -3.2331 1.8456 0.8763 C.3 1 UNL1111111111 -0.3225 26 C 5.8075 2.4122 -0.6444 C.3 1 UNL1111111111 -0.4463 27 C -0.9118 2.6284 0.4246 C.2 1 UNL1111111111 0.5402 28 C -0.0544 -8.0599 0.5279 C.3 1 UNL1111111111 -0.4407 29 C 1.0636 3.0446 3.4151 C.3 1 UNL1111111111 -0.4487 30 C -4.4893 1.3068 0.2652 C.ar 1 UNL1111111111 0.0109 31 C -5.3229 2.1707 -0.4479 C.ar 1 UNL1111111111 -0.1643 32 C -4.8386 -0.0376 0.4040 C.ar 1 UNL1111111111 -0.1754 33 C -6.5021 1.6937 -1.0136 C.ar 1 UNL1111111111 -0.1313 34 C -6.0144 -0.5149 -0.1729 C.ar 1 UNL1111111111 -0.1392 35 C -6.8471 0.3497 -0.8812 C.ar 1 UNL1111111111 -0.1566 36 H 1.7983 -3.3554 -0.6806 H 1 UNL1111111111 0.1742 37 H -0.0621 -1.5400 1.0363 H 1 UNL1111111111 0.1343 38 H -0.6231 -4.1059 -0.5206 H 1 UNL1111111111 0.1344 39 H -0.5530 -3.9977 1.2439 H 1 UNL1111111111 0.1353 40 H 4.0886 0.5857 0.3276 H 1 UNL1111111111 0.1998 41 H 0.3945 -1.6986 -2.0510 H 1 UNL1111111111 0.2092 42 H -1.0705 -2.2852 -1.2576 H 1 UNL1111111111 0.1805 43 H 4.5355 0.4459 -2.1233 H 1 UNL1111111111 0.1555 44 H 1.2273 -5.7696 1.2975 H 1 UNL1111111111 0.1407 45 H 1.2584 -5.8261 -0.4669 H 1 UNL1111111111 0.1424 46 H 2.8046 -2.3579 1.4710 H 1 UNL1111111111 0.1583 47 H 2.6877 -4.1139 1.5007 H 1 UNL1111111111 0.1469 48 H 1.5181 -3.1424 2.3964 H 1 UNL1111111111 0.1422 49 H 4.9418 2.9238 -2.5619 H 1 UNL1111111111 0.1372 50 H 3.9213 3.3393 -1.1853 H 1 UNL1111111111 0.1488 51 H -1.1821 -6.5131 -0.4952 H 1 UNL1111111111 0.1332 52 H -1.2422 -6.4007 1.2663 H 1 UNL1111111111 0.1309 53 H 1.5032 1.9299 -0.4744 H 1 UNL1111111111 0.3296 54 H 2.0657 2.2683 -2.5766 H 1 UNL1111111111 0.1550 55 H 2.1044 0.5386 -2.9265 H 1 UNL1111111111 0.1618 56 H 3.1705 1.6364 -3.7976 H 1 UNL1111111111 0.1521 57 H -2.3143 2.0414 -1.1202 H 1 UNL1111111111 0.2019 58 H -1.9455 -0.3381 0.5420 H 1 UNL1111111111 0.3113 59 H 1.0877 3.8766 1.3950 H 1 UNL1111111111 0.1903 60 H -3.0266 1.3680 1.8554 H 1 UNL1111111111 0.1599 61 H -3.3585 2.9264 1.1227 H 1 UNL1111111111 0.1789 62 H 6.4095 3.3280 -0.6350 H 1 UNL1111111111 0.1399 63 H 5.4951 2.2275 0.3927 H 1 UNL1111111111 0.1558 64 H 6.4647 1.5921 -0.9471 H 1 UNL1111111111 0.1406 65 H 0.5858 -8.3212 -0.3228 H 1 UNL1111111111 0.1451 66 H 0.5339 -8.2058 1.4404 H 1 UNL1111111111 0.1436 67 H -0.8822 -8.7776 0.5483 H 1 UNL1111111111 0.1409 68 H -0.2122 1.1866 1.7563 H 1 UNL1111111111 0.3173 69 H 1.0053 2.0863 3.9434 H 1 UNL1111111111 0.1589 70 H 1.9933 3.5282 3.7487 H 1 UNL1111111111 0.1698 71 H 0.2178 3.6621 3.7440 H 1 UNL1111111111 0.1560 72 H -5.0529 3.2195 -0.5638 H 1 UNL1111111111 0.1601 73 H -4.2026 -0.7165 0.9636 H 1 UNL1111111111 0.1424 74 H -7.1560 2.3730 -1.5570 H 1 UNL1111111111 0.1518 75 H -6.2865 -1.5635 -0.0695 H 1 UNL1111111111 0.1477 76 H -7.7652 -0.0221 -1.3306 H 1 UNL1111111111 0.1515 @BOND 1 1 10 1 2 1 17 1 3 2 17 2 4 3 20 2 5 4 24 2 6 5 27 2 7 6 12 1 8 6 24 am 9 6 53 1 10 7 20 am 11 7 22 1 12 7 58 1 13 8 23 1 14 8 27 am 15 8 68 1 16 9 10 1 17 9 11 1 18 9 16 1 19 9 36 1 20 10 13 1 21 10 37 1 22 11 15 1 23 11 38 1 24 11 39 1 25 12 14 1 26 12 17 1 27 12 40 1 28 13 20 1 29 13 41 1 30 13 42 1 31 14 18 1 32 14 21 1 33 14 43 1 34 15 19 1 35 15 44 1 36 15 45 1 37 16 46 1 38 16 47 1 39 16 48 1 40 18 26 1 41 18 49 1 42 18 50 1 43 19 28 1 44 19 51 1 45 19 52 1 46 21 54 1 47 21 55 1 48 21 56 1 49 22 25 1 50 22 27 1 51 22 57 1 52 23 24 1 53 23 29 1 54 23 59 1 55 25 30 1 56 25 60 1 57 25 61 1 58 26 62 1 59 26 63 1 60 26 64 1 61 28 65 1 62 28 66 1 63 28 67 1 64 29 69 1 65 29 70 1 66 29 71 1 67 30 31 ar 68 30 32 ar 69 31 33 ar 70 31 72 1 71 32 34 ar 72 32 73 1 73 33 35 ar 74 33 74 1 75 34 35 ar 76 34 75 1 77 35 76 1