@MOLECULE [(1r,2r,10r,13s)-7,18-dimethoxy-6,17,21-trimethyl-5,8,12,16,19-pentaoxo-11,21-diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methyl-2-butenoate 73 77 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4689 -0.0181 -3.0549 O.2 1 UNL1111111111 -0.5464 2 O -0.1493 2.4478 -0.3315 O.3 1 UNL1111111111 -0.3812 3 O -1.9722 -1.4819 2.5018 O.2 1 UNL1111111111 -0.4145 4 O -4.6685 -0.5503 -1.9662 O.2 1 UNL1111111111 -0.4204 5 O -4.2888 0.2216 2.6002 O.2 1 UNL1111111111 -0.2702 6 O 4.2854 -2.3814 1.7705 O.2 1 UNL1111111111 -0.3987 7 O 3.9312 2.2844 -0.7388 O.2 1 UNL1111111111 -0.4033 8 O 6.5167 1.2927 0.0469 O.2 1 UNL1111111111 -0.2624 9 O -1.4502 1.2008 1.0171 O.2 1 UNL1111111111 -0.5746 10 N 0.5900 -0.2753 -0.8152 N.am 1 UNL1111111111 -0.4956 11 N -0.3398 -2.8919 -1.1171 N.3 1 UNL1111111111 -0.4115 12 C 0.4675 -1.1391 0.3682 C.3 1 UNL1111111111 0.0914 13 C -0.6502 -2.2053 0.1543 C.3 1 UNL1111111111 0.0212 14 C -0.6272 -1.9736 -2.2342 C.3 1 UNL1111111111 -0.0271 15 C 1.8142 -1.8283 0.6721 C.3 1 UNL1111111111 -0.3308 16 C 1.5740 0.8058 -0.6796 C.3 1 UNL1111111111 0.0762 17 C -1.9954 -1.5236 0.1576 C.2 1 UNL1111111111 -0.1733 18 C 0.2203 -0.6981 -2.0792 C.2 1 UNL1111111111 0.5734 19 C -2.1090 -1.5471 -2.3204 C.3 1 UNL1111111111 -0.3140 20 C -2.6653 -1.2572 -0.9723 C.2 1 UNL1111111111 -0.0468 21 C 2.9552 -0.8915 0.5302 C.2 1 UNL1111111111 0.0007 22 C 2.8680 0.2934 -0.0941 C.2 1 UNL1111111111 -0.2058 23 C -1.0387 -4.1839 -1.2497 C.3 1 UNL1111111111 -0.2686 24 C 1.0263 1.9156 0.2578 C.3 1 UNL1111111111 -0.0533 25 C -2.5180 -1.1295 1.4851 C.2 1 UNL1111111111 0.4433 26 C -4.0306 -0.6434 -0.9427 C.2 1 UNL1111111111 0.4512 27 C 4.2534 -1.3661 1.1174 C.2 1 UNL1111111111 0.4363 28 C 4.0381 1.1810 -0.2603 C.2 1 UNL1111111111 0.4198 29 C -3.7785 -0.3243 1.4780 C.2 1 UNL1111111111 0.1538 30 C -4.5160 -0.1570 0.3539 C.2 1 UNL1111111111 -0.2058 31 C 5.4445 -0.5431 0.8638 C.2 1 UNL1111111111 -0.1927 32 C 5.3481 0.6412 0.2135 C.2 1 UNL1111111111 0.1103 33 C -5.8123 0.5658 0.3721 C.3 1 UNL1111111111 -0.4051 34 C 6.7487 -1.0594 1.3453 C.3 1 UNL1111111111 -0.4140 35 C -1.3436 1.9521 0.0749 C.2 1 UNL1111111111 0.6381 36 C -3.4158 0.3498 3.7231 C.3 1 UNL1111111111 -0.2034 37 C 6.5133 2.5361 -0.6506 C.3 1 UNL1111111111 -0.2016 38 C -2.4223 2.4905 -0.7778 C.2 1 UNL1111111111 -0.1213 39 C -2.2822 2.2125 -2.2316 C.3 1 UNL1111111111 -0.4403 40 C -3.4530 3.1651 -0.2505 C.2 1 UNL1111111111 -0.0603 41 C -3.6022 3.4484 1.1995 C.3 1 UNL1111111111 -0.4706 42 H 0.1692 -0.4867 1.2398 H 1 UNL1111111111 0.1783 43 H -0.6013 -2.9479 0.9980 H 1 UNL1111111111 0.1782 44 H -0.3105 -2.4694 -3.1906 H 1 UNL1111111111 0.1756 45 H 1.9626 -2.6947 -0.0221 H 1 UNL1111111111 0.2023 46 H 1.7916 -2.2860 1.6860 H 1 UNL1111111111 0.1865 47 H 1.7568 1.2610 -1.7022 H 1 UNL1111111111 0.2082 48 H -2.7147 -2.3317 -2.8249 H 1 UNL1111111111 0.1803 49 H -2.2136 -0.6577 -2.9873 H 1 UNL1111111111 0.1942 50 H -0.7727 -4.6447 -2.2155 H 1 UNL1111111111 0.1488 51 H -2.1359 -4.1194 -1.1809 H 1 UNL1111111111 0.1338 52 H -0.6785 -4.8621 -0.4565 H 1 UNL1111111111 0.1514 53 H 1.7103 2.7881 0.2727 H 1 UNL1111111111 0.1633 54 H 0.8418 1.5572 1.2844 H 1 UNL1111111111 0.1517 55 H -5.6687 1.6347 0.5979 H 1 UNL1111111111 0.1583 56 H -6.4896 0.1645 1.1412 H 1 UNL1111111111 0.1565 57 H -6.3384 0.5024 -0.5940 H 1 UNL1111111111 0.1691 58 H 7.4193 -1.3003 0.5048 H 1 UNL1111111111 0.1623 59 H 6.6426 -1.9744 1.9506 H 1 UNL1111111111 0.1720 60 H 7.2758 -0.3173 1.9659 H 1 UNL1111111111 0.1607 61 H -3.9765 1.0375 4.3669 H 1 UNL1111111111 0.1399 62 H -2.4481 0.7787 3.4369 H 1 UNL1111111111 0.1573 63 H -3.2826 -0.6237 4.2080 H 1 UNL1111111111 0.1530 64 H 7.5834 2.7809 -0.6665 H 1 UNL1111111111 0.1449 65 H 5.9485 3.2953 -0.0993 H 1 UNL1111111111 0.1506 66 H 6.1262 2.4212 -1.6685 H 1 UNL1111111111 0.1511 67 H -2.3473 3.1324 -2.8305 H 1 UNL1111111111 0.1640 68 H -1.3132 1.7504 -2.4918 H 1 UNL1111111111 0.1817 69 H -3.0731 1.5335 -2.5902 H 1 UNL1111111111 0.1670 70 H -4.2510 3.5463 -0.8917 H 1 UNL1111111111 0.1552 71 H -3.5115 2.5239 1.8010 H 1 UNL1111111111 0.1853 72 H -4.5720 3.8978 1.4467 H 1 UNL1111111111 0.1526 73 H -2.8237 4.1361 1.5620 H 1 UNL1111111111 0.1635 @BOND 1 1 18 2 2 2 24 1 3 2 35 1 4 3 25 2 5 4 26 2 6 5 29 1 7 5 36 1 8 6 27 2 9 7 28 2 10 8 32 1 11 8 37 1 12 9 35 2 13 10 12 1 14 10 16 1 15 10 18 am 16 11 13 1 17 11 14 1 18 11 23 1 19 12 13 1 20 12 15 1 21 12 42 1 22 13 17 1 23 13 43 1 24 14 18 1 25 14 19 1 26 14 44 1 27 15 21 1 28 15 45 1 29 15 46 1 30 16 22 1 31 16 24 1 32 16 47 1 33 17 20 2 34 17 25 1 35 19 20 1 36 19 48 1 37 19 49 1 38 20 26 1 39 21 22 2 40 21 27 1 41 22 28 1 42 23 50 1 43 23 51 1 44 23 52 1 45 24 53 1 46 24 54 1 47 25 29 1 48 26 30 1 49 27 31 1 50 28 32 1 51 29 30 2 52 30 33 1 53 31 32 2 54 31 34 1 55 33 55 1 56 33 56 1 57 33 57 1 58 34 58 1 59 34 59 1 60 34 60 1 61 35 38 1 62 36 61 1 63 36 62 1 64 36 63 1 65 37 64 1 66 37 65 1 67 37 66 1 68 38 39 1 69 38 40 2 70 39 67 1 71 39 68 1 72 39 69 1 73 40 41 1 74 40 70 1 75 41 71 1 76 41 72 1 77 41 73 1