@MOLECULE (2r,3s,4s,6r)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one 61 68 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.3983 0.7948 1.1292 O.3 1 UNL11 -0.4385 2 O 3.0119 -0.3374 -1.2586 O.3 1 UNL11 -0.3570 3 O -5.4028 0.4080 -0.1407 O.2 1 UNL11 -0.5251 4 N 1.0407 -1.2372 0.1790 N.ar 1 UNL11 -0.3945 5 N -0.1581 1.7367 -0.1267 N.ar 1 UNL11 -0.3584 6 N 4.8352 1.9423 -0.4152 N.3 1 UNL11 -0.5394 7 N -4.8801 -1.8162 -0.2286 N.am 1 UNL11 -0.6268 8 C 2.0507 -0.4165 0.8915 C.3 1 UNL11 0.4371 9 C 3.3516 -0.0208 0.0632 C.3 1 UNL11 0.0045 10 C 1.2651 1.5266 -0.1237 C.3 1 UNL11 0.2707 11 C 3.6308 1.5195 0.3264 C.3 1 UNL11 0.0230 12 C 2.4392 2.4786 -0.0621 C.3 1 UNL11 -0.3144 13 C -0.3007 -0.7897 0.0541 C.ar 1 UNL11 0.1535 14 C -0.8422 0.4988 -0.0315 C.ar 1 UNL11 0.0589 15 C -1.1845 -1.9120 -0.0460 C.ar 1 UNL11 -0.0988 16 C -2.2495 0.7359 -0.0425 C.ar 1 UNL11 0.0350 17 C 1.0081 -2.6435 0.1486 C.ar 1 UNL11 0.1787 18 C 2.4072 -0.9932 2.2577 C.3 1 UNL11 -0.4997 19 C -1.0903 2.7623 -0.0213 C.ar 1 UNL11 0.2167 20 C -0.3477 -3.0893 -0.0106 C.ar 1 UNL11 -0.0775 21 C -2.5489 -1.6770 -0.1239 C.ar 1 UNL11 0.0208 22 C -3.0799 -0.3748 -0.0949 C.ar 1 UNL11 -0.1580 23 C -2.4075 2.1726 -0.0126 C.ar 1 UNL11 -0.1163 24 C -3.6767 -2.6755 -0.2256 C.3 1 UNL11 -0.0608 25 C 2.0691 -3.5470 0.1900 C.ar 1 UNL11 -0.2298 26 C -4.5609 -0.4576 -0.1517 C.2 1 UNL11 0.6224 27 C -0.6163 -4.4475 -0.1065 C.ar 1 UNL11 -0.0954 28 C -0.9078 4.1453 0.0050 C.ar 1 UNL11 -0.2632 29 C -3.5246 2.9981 0.0235 C.ar 1 UNL11 -0.0431 30 C 5.4147 3.1866 0.1316 C.3 1 UNL11 -0.2733 31 C 4.0708 -0.3272 -2.1977 C.3 1 UNL11 -0.2009 32 C 1.7657 -4.9003 0.0932 C.ar 1 UNL11 -0.1050 33 C 0.4450 -5.3464 -0.0472 C.ar 1 UNL11 -0.2026 34 C -2.0498 4.9353 0.0485 C.ar 1 UNL11 -0.0762 35 C -3.3364 4.3755 0.0571 C.ar 1 UNL11 -0.2296 36 H 4.2212 -0.6202 0.3903 H 1 UNL11 0.1251 37 H 1.4286 0.8708 -1.0541 H 1 UNL11 0.1959 38 H 3.7703 1.6134 1.4370 H 1 UNL11 0.1284 39 H 2.3241 3.2743 0.6888 H 1 UNL11 0.1583 40 H 2.6309 2.9652 -1.0365 H 1 UNL11 0.1787 41 H 1.5003 -1.1156 2.8742 H 1 UNL11 0.1895 42 H 2.8862 -1.9756 2.1829 H 1 UNL11 0.1693 43 H 3.0716 -0.3188 2.8118 H 1 UNL11 0.1689 44 H 5.5390 1.2052 -0.4299 H 1 UNL11 0.2522 45 H -3.6140 -3.2731 -1.1612 H 1 UNL11 0.1537 46 H -3.6908 -3.3761 0.6370 H 1 UNL11 0.1533 47 H 3.0946 -3.2051 0.2703 H 1 UNL11 0.1580 48 H -1.6370 -4.8004 -0.2293 H 1 UNL11 0.1502 49 H 0.0829 4.5807 -0.0021 H 1 UNL11 0.1564 50 H -5.7968 -2.1911 -0.2797 H 1 UNL11 0.3198 51 H -4.5279 2.5582 0.0256 H 1 UNL11 0.1877 52 H 6.2722 3.4796 -0.4973 H 1 UNL11 0.1446 53 H 5.7555 3.1100 1.1748 H 1 UNL11 0.1175 54 H 4.6735 4.0012 0.0670 H 1 UNL11 0.1529 55 H 3.6173 -0.8388 -3.0586 H 1 UNL11 0.1517 56 H 4.9427 -0.8788 -1.8433 H 1 UNL11 0.1128 57 H 4.3293 0.7060 -2.4622 H 1 UNL11 0.1504 58 H 2.5725 -5.6315 0.1222 H 1 UNL11 0.1448 59 H 0.2506 -6.4136 -0.1175 H 1 UNL11 0.1491 60 H -1.9465 6.0197 0.0781 H 1 UNL11 0.1413 61 H -4.2006 5.0340 0.0912 H 1 UNL11 0.1524 @BOND 1 55 31 1 2 57 31 1 3 31 56 1 4 31 2 1 5 2 9 1 6 45 24 1 7 37 10 1 8 40 12 1 9 52 30 1 10 44 6 1 11 6 30 1 12 6 11 1 13 50 7 1 14 48 27 1 15 7 24 1 16 7 26 am 17 24 21 1 18 24 46 1 19 26 3 2 20 26 22 1 21 5 10 1 22 5 14 ar 23 5 19 ar 24 21 22 ar 25 21 15 ar 26 10 12 1 27 10 1 1 28 59 33 1 29 27 33 ar 30 27 20 ar 31 22 16 ar 32 12 11 1 33 12 39 1 34 33 32 ar 35 15 20 ar 36 15 13 ar 37 16 14 ar 38 16 23 ar 39 14 13 ar 40 19 23 ar 41 19 28 ar 42 23 29 ar 43 20 17 ar 44 49 28 1 45 28 34 ar 46 29 51 1 47 29 35 ar 48 34 35 ar 49 34 60 1 50 13 4 ar 51 35 61 1 52 9 11 1 53 9 36 1 54 9 8 1 55 54 30 1 56 32 58 1 57 32 25 ar 58 30 53 1 59 17 4 ar 60 17 25 ar 61 4 8 1 62 25 47 1 63 11 38 1 64 8 1 1 65 8 18 1 66 42 18 1 67 18 43 1 68 18 41 1