@MOLECULE methyl (13e)-13-ethylidene-17-hydroxy-16-oxa-8,15-diazahexacyclo[10.6.1.0~1,9~.0~2,7~.0~10,15~.0~14,18~]nonadeca-2,4,6,8-tetraene-19-carboxylate 46 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5153 3.0112 0.4152 O.3 1 UNL1 -0.2301 2 O -0.7932 2.4909 2.6388 O.3 1 UNL1 -0.5575 3 O 1.9784 -2.7408 -0.4422 O.3 1 UNL1 -0.4143 4 O 0.8364 -2.0770 1.3744 O.2 1 UNL1 -0.4946 5 N 0.6696 2.6154 -0.2592 N.4 1 UNL1 -0.1979 6 N -2.1096 0.8773 -1.6438 N.2 1 UNL1 -0.3465 7 C -0.4933 -0.0162 -0.1008 C.3 1 UNL1 -0.0268 8 C -0.0001 0.7934 1.1032 C.3 1 UNL1 -0.2165 9 C 1.2737 1.5906 0.6631 C.3 1 UNL1 -0.0132 10 C 0.6028 -0.8799 -0.7456 C.3 1 UNL1 -0.2031 11 C 1.7801 0.0276 -1.1983 C.3 1 UNL1 -0.0976 12 C 0.1972 1.9732 -1.5407 C.3 1 UNL1 -0.0002 13 C -0.8967 1.0100 -1.2129 C.2 1 UNL1 0.1368 14 C 1.3196 1.1276 -2.1793 C.3 1 UNL1 -0.2890 15 C 2.3080 0.7288 0.0154 C.2 1 UNL1 -0.0905 16 C -0.9445 1.9952 1.3469 C.3 1 UNL1 0.2635 17 C -1.8025 -0.7319 0.0670 C.ar 1 UNL1 -0.1145 18 C 1.1128 -1.9240 0.2149 C.2 1 UNL1 0.5997 19 C -2.7131 -0.1857 -0.8877 C.ar 1 UNL1 0.1039 20 C 3.5465 0.6099 0.5054 C.2 1 UNL1 -0.1037 21 C -2.2038 -1.7290 0.9251 C.ar 1 UNL1 -0.1090 22 C -4.0104 -0.6486 -0.9934 C.ar 1 UNL1 -0.1451 23 C 4.5916 -0.2704 -0.0810 C.3 1 UNL1 -0.4520 24 C -3.5227 -2.1979 0.8209 C.ar 1 UNL1 -0.1520 25 C -4.4030 -1.6721 -0.1195 C.ar 1 UNL1 -0.1302 26 C 2.5410 -3.7970 0.3303 C.3 1 UNL1 -0.1664 27 H 0.1517 0.1658 2.0015 H 1 UNL1 0.2027 28 H 1.7031 2.1516 1.5318 H 1 UNL1 0.1638 29 H 0.1780 -1.4028 -1.6443 H 1 UNL1 0.1886 30 H 2.5546 -0.6057 -1.6928 H 1 UNL1 0.1649 31 H -0.1351 2.8026 -2.2142 H 1 UNL1 0.1854 32 H 2.1787 1.7774 -2.4385 H 1 UNL1 0.1680 33 H 0.9632 0.6872 -3.1284 H 1 UNL1 0.1582 34 H -2.0293 1.8353 1.2158 H 1 UNL1 0.1660 35 H 3.8583 1.1710 1.3891 H 1 UNL1 0.1517 36 H -1.5206 -2.1428 1.6697 H 1 UNL1 0.1803 37 H -0.0526 3.1324 2.6999 H 1 UNL1 0.3361 38 H -4.6982 -0.2283 -1.7233 H 1 UNL1 0.1715 39 H 4.9539 0.1245 -1.0426 H 1 UNL1 0.1613 40 H 4.2130 -1.2880 -0.2709 H 1 UNL1 0.1652 41 H 5.4666 -0.3724 0.5744 H 1 UNL1 0.1523 42 H -3.8578 -2.9859 1.4936 H 1 UNL1 0.1536 43 H -5.4209 -2.0556 -0.1791 H 1 UNL1 0.1499 44 H 3.1859 -4.3129 -0.3896 H 1 UNL1 0.1438 45 H 1.7481 -4.4556 0.6990 H 1 UNL1 0.1438 46 H 3.1173 -3.3875 1.1667 H 1 UNL1 0.1394 @BOND 1 33 14 1 2 32 14 1 3 31 12 1 4 14 12 1 5 14 11 1 6 38 22 1 7 30 11 1 8 29 10 1 9 6 13 2 10 6 19 1 11 12 13 1 12 12 5 1 13 13 7 1 14 11 10 1 15 11 15 1 16 39 23 1 17 22 19 ar 18 22 25 ar 19 19 17 ar 20 10 7 1 21 10 18 1 22 3 18 1 23 3 26 1 24 44 26 1 25 40 23 1 26 5 1 1 27 5 9 1 28 43 25 1 29 25 24 ar 30 7 17 1 31 7 8 1 32 23 20 1 33 23 41 1 34 15 20 2 35 15 9 1 36 17 21 ar 37 18 4 2 38 26 45 1 39 26 46 1 40 1 16 1 41 20 35 1 42 9 8 1 43 9 28 1 44 24 21 ar 45 24 42 1 46 21 36 1 47 8 16 1 48 8 27 1 49 34 16 1 50 16 2 1 51 2 37 1