@MOLECULE hexyl (15s,16r,18r)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate 71 78 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1303 0.3797 0.9517 O.3 1 UNL1111111111 -0.3989 2 O 0.5195 2.2677 -1.9506 O.3 1 UNL1111111111 -0.4862 3 O 3.6979 1.5978 -0.8126 O.3 1 UNL1111111111 -0.4142 4 O 2.7931 3.6507 -1.0699 O.2 1 UNL1111111111 -0.5044 5 O -4.8601 -3.4835 -0.1806 O.2 1 UNL1111111111 -0.5262 6 N -0.7221 1.6704 0.3627 N.ar 1 UNL1111111111 -0.3846 7 N 0.1141 -1.3809 -0.1086 N.ar 1 UNL1111111111 -0.3811 8 N -5.7968 -1.4097 0.0487 N.am 1 UNL1111111111 -0.6247 9 C 0.7321 1.6418 0.4481 C.3 1 UNL1111111111 0.4159 10 C 1.3635 1.6822 -1.0153 C.3 1 UNL1111111111 0.1578 11 C 1.3161 -0.5773 -0.0823 C.3 1 UNL1111111111 0.3144 12 C 1.5104 0.2089 -1.4012 C.3 1 UNL1111111111 -0.3626 13 C -1.5153 0.5255 0.2080 C.ar 1 UNL1111111111 0.1586 14 C -1.1584 -0.8088 0.0214 C.ar 1 UNL1111111111 0.0572 15 C -2.9025 0.8858 0.2519 C.ar 1 UNL1111111111 -0.1035 16 C 1.2906 2.6438 1.4468 C.3 1 UNL1111111111 -0.4994 17 C -2.1538 -1.8363 -0.0572 C.ar 1 UNL1111111111 0.0287 18 C -1.5811 2.7829 0.4349 C.ar 1 UNL1111111111 0.1777 19 C -0.0333 -2.7666 -0.2158 C.ar 1 UNL1111111111 0.1973 20 C -2.9411 2.3211 0.3876 C.ar 1 UNL1111111111 -0.0729 21 C -3.8556 -0.1142 0.1576 C.ar 1 UNL1111111111 0.0225 22 C -3.4872 -1.4622 0.0112 C.ar 1 UNL1111111111 -0.1622 23 C -1.4354 -3.0804 -0.2021 C.ar 1 UNL1111111111 -0.1121 24 C 2.6814 2.4561 -0.9832 C.2 1 UNL1111111111 0.5505 25 C -5.3606 -0.0042 0.1933 C.3 1 UNL1111111111 -0.0575 26 C -1.2912 4.1456 0.5034 C.ar 1 UNL1111111111 -0.2459 27 C -4.7174 -2.2908 -0.0571 C.2 1 UNL1111111111 0.6250 28 C 0.9419 -3.7572 -0.3439 C.ar 1 UNL1111111111 -0.2636 29 C -3.9858 3.2337 0.4485 C.ar 1 UNL1111111111 -0.0895 30 C -1.8406 -4.4054 -0.3191 C.ar 1 UNL1111111111 -0.0419 31 C -2.3596 5.0341 0.5585 C.ar 1 UNL1111111111 -0.0917 32 C -3.6877 4.5892 0.5384 C.ar 1 UNL1111111111 -0.2021 33 C 0.4986 -5.0690 -0.4563 C.ar 1 UNL1111111111 -0.0750 34 C -0.8675 -5.3903 -0.4448 C.ar 1 UNL1111111111 -0.2267 35 C 5.0220 2.1067 -0.6020 C.3 1 UNL1111111111 -0.0142 36 C 5.6108 1.1605 0.4444 C.3 1 UNL1111111111 -0.2976 37 C 5.6608 -0.2784 -0.0884 C.3 1 UNL1111111111 -0.2617 38 C 5.7474 -1.2901 1.0606 C.3 1 UNL1111111111 -0.2755 39 C 5.7300 -2.7256 0.5177 C.3 1 UNL1111111111 -0.2497 40 C 5.7413 -3.7410 1.6599 C.3 1 UNL1111111111 -0.4411 41 H 2.2008 -1.1792 0.2364 H 1 UNL1111111111 0.1656 42 H 0.7412 -0.0596 -2.1620 H 1 UNL1111111111 0.2078 43 H 2.4794 -0.0237 -1.8740 H 1 UNL1111111111 0.1826 44 H 0.6510 2.7194 2.3407 H 1 UNL1111111111 0.1878 45 H 1.4050 3.6520 1.0282 H 1 UNL1111111111 0.1779 46 H 2.2813 2.3182 1.8051 H 1 UNL1111111111 0.1849 47 H 0.3589 3.2237 -1.7455 H 1 UNL1111111111 0.3367 48 H -5.7203 0.4252 1.1539 H 1 UNL1111111111 0.1548 49 H -5.7503 0.6210 -0.6390 H 1 UNL1111111111 0.1543 50 H -0.2716 4.5163 0.5092 H 1 UNL1111111111 0.1616 51 H 1.9969 -3.5165 -0.3521 H 1 UNL1111111111 0.1553 52 H -5.0173 2.8909 0.4207 H 1 UNL1111111111 0.1511 53 H -2.9079 -4.6534 -0.3109 H 1 UNL1111111111 0.1909 54 H -6.7551 -1.6664 0.0305 H 1 UNL1111111111 0.3208 55 H -2.1593 6.1037 0.6162 H 1 UNL1111111111 0.1481 56 H -4.4938 5.3172 0.5877 H 1 UNL1111111111 0.1508 57 H 1.2287 -5.8720 -0.5555 H 1 UNL1111111111 0.1424 58 H -1.1677 -6.4316 -0.5352 H 1 UNL1111111111 0.1537 59 H 5.5261 2.0447 -1.5816 H 1 UNL1111111111 0.1355 60 H 4.9944 3.1569 -0.2646 H 1 UNL1111111111 0.1423 61 H 6.6197 1.5014 0.7378 H 1 UNL1111111111 0.1436 62 H 4.9949 1.2024 1.3659 H 1 UNL1111111111 0.1570 63 H 6.5193 -0.4014 -0.7733 H 1 UNL1111111111 0.1318 64 H 4.7582 -0.4895 -0.6967 H 1 UNL1111111111 0.1504 65 H 4.9014 -1.1443 1.7600 H 1 UNL1111111111 0.1440 66 H 6.6636 -1.1198 1.6542 H 1 UNL1111111111 0.1330 67 H 6.6008 -2.8903 -0.1442 H 1 UNL1111111111 0.1307 68 H 4.8353 -2.8813 -0.1151 H 1 UNL1111111111 0.1353 69 H 6.6357 -3.6353 2.2833 H 1 UNL1111111111 0.1401 70 H 4.8686 -3.6211 2.3131 H 1 UNL1111111111 0.1487 71 H 5.7280 -4.7684 1.2790 H 1 UNL1111111111 0.1418 @BOND 1 1 9 1 2 1 11 1 3 2 10 1 4 2 47 1 5 3 24 1 6 3 35 1 7 4 24 2 8 5 27 2 9 6 9 1 10 6 13 ar 11 6 18 ar 12 7 11 1 13 7 14 ar 14 7 19 ar 15 8 25 1 16 8 27 am 17 8 54 1 18 9 10 1 19 9 16 1 20 10 12 1 21 10 24 1 22 11 12 1 23 11 41 1 24 12 42 1 25 12 43 1 26 13 14 ar 27 13 15 ar 28 14 17 ar 29 15 20 ar 30 15 21 ar 31 16 44 1 32 16 45 1 33 16 46 1 34 17 22 ar 35 17 23 ar 36 18 20 ar 37 18 26 ar 38 19 23 ar 39 19 28 ar 40 20 29 ar 41 21 22 ar 42 21 25 1 43 22 27 1 44 23 30 ar 45 25 48 1 46 25 49 1 47 26 31 ar 48 26 50 1 49 28 33 ar 50 28 51 1 51 29 32 ar 52 29 52 1 53 30 34 ar 54 30 53 1 55 31 32 ar 56 31 55 1 57 32 56 1 58 33 34 ar 59 33 57 1 60 34 58 1 61 35 36 1 62 35 59 1 63 35 60 1 64 36 37 1 65 36 61 1 66 36 62 1 67 37 38 1 68 37 63 1 69 37 64 1 70 38 39 1 71 38 65 1 72 38 66 1 73 39 40 1 74 39 67 1 75 39 68 1 76 40 69 1 77 40 70 1 78 40 71 1