@MOLECULE methyl (1r,9r,12r,21r)-20-oxo-19-oxa-8,16-diazahexacyclo[10.6.4.0~1,9~.0~2,7~.0~9,21~.0~12,16~]docosa-2,4,6,13-tetraene-8-carboxylate 49 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2528 1.4951 1.5189 O.3 1 UNL1111111111 -0.3966 2 O 0.3520 0.3955 3.3509 O.2 1 UNL1111111111 -0.4326 3 O -0.7815 -2.8992 -0.0473 O.3 1 UNL1111111111 -0.3992 4 O -3.0227 -2.5475 -0.2476 O.2 1 UNL1111111111 -0.5230 5 N -1.5424 -0.7793 -0.0985 N.am 1 UNL1111111111 -0.5152 6 N 2.8246 0.9855 -0.7711 N.3 1 UNL1111111111 -0.4704 7 C -0.1264 -0.2797 -0.1236 C.3 1 UNL1111111111 0.2186 8 C -0.3305 1.2953 0.0969 C.3 1 UNL1111111111 0.2332 9 C 0.6118 -0.6947 1.1633 C.3 1 UNL1111111111 -0.2433 10 C 2.7274 -0.4405 -0.3165 C.3 1 UNL1111111111 0.2275 11 C 0.4924 -0.6562 -1.4715 C.3 1 UNL1111111111 -0.2899 12 C 2.1445 -0.7204 1.0829 C.3 1 UNL1111111111 -0.3105 13 C 1.9023 -1.2235 -1.3546 C.3 1 UNL1111111111 -0.2749 14 C 0.6884 2.2142 -0.5456 C.3 1 UNL1111111111 -0.3106 15 C -1.7706 1.5252 -0.2495 C.ar 1 UNL1111111111 -0.1590 16 C 2.1176 2.0194 0.0052 C.3 1 UNL1111111111 -0.0847 17 C 0.2340 0.3890 2.1604 C.2 1 UNL1111111111 0.5792 18 C -2.4496 0.2848 -0.3101 C.ar 1 UNL1111111111 0.2298 19 C 4.1654 -0.9507 -0.3391 C.2 1 UNL1111111111 -0.2142 20 C 4.2797 1.3051 -0.9364 C.3 1 UNL1111111111 -0.1151 21 C 5.0175 0.0185 -0.6812 C.2 1 UNL1111111111 -0.1673 22 C -2.4629 2.7068 -0.4167 C.ar 1 UNL1111111111 -0.0644 23 C -1.8996 -2.1134 -0.1521 C.2 1 UNL1111111111 0.7191 24 C -3.8171 0.2180 -0.5413 C.ar 1 UNL1111111111 -0.2241 25 C -3.8402 2.6485 -0.6625 C.ar 1 UNL1111111111 -0.2078 26 C -4.5016 1.4239 -0.7179 C.ar 1 UNL1111111111 -0.0785 27 C -1.0625 -4.2951 0.0246 C.3 1 UNL1111111111 -0.1630 28 H 0.2462 -1.6882 1.5246 H 1 UNL1111111111 0.2013 29 H 0.5114 0.2325 -2.1394 H 1 UNL1111111111 0.1670 30 H -0.1459 -1.3929 -2.0043 H 1 UNL1111111111 0.1590 31 H 2.5969 -0.0260 1.8209 H 1 UNL1111111111 0.1632 32 H 2.4932 -1.7233 1.4111 H 1 UNL1111111111 0.1607 33 H 1.8668 -2.2919 -1.0669 H 1 UNL1111111111 0.1454 34 H 2.4050 -1.1801 -2.3408 H 1 UNL1111111111 0.1529 35 H 0.3817 3.2669 -0.3685 H 1 UNL1111111111 0.1601 36 H 0.6937 2.0831 -1.6486 H 1 UNL1111111111 0.1756 37 H 2.6567 2.9892 -0.1090 H 1 UNL1111111111 0.1342 38 H 2.0927 1.8231 1.0976 H 1 UNL1111111111 0.1375 39 H 4.3783 -1.9753 -0.1065 H 1 UNL1111111111 0.1555 40 H 4.6364 2.1150 -0.2697 H 1 UNL1111111111 0.1332 41 H 4.4142 1.6529 -1.9851 H 1 UNL1111111111 0.1537 42 H 6.0841 -0.0318 -0.7874 H 1 UNL1111111111 0.1534 43 H -1.9544 3.6667 -0.3492 H 1 UNL1111111111 0.1547 44 H -4.3430 -0.7365 -0.5774 H 1 UNL1111111111 0.1939 45 H -4.3982 3.5711 -0.8006 H 1 UNL1111111111 0.1522 46 H -5.5768 1.3988 -0.8982 H 1 UNL1111111111 0.1507 47 H -1.6575 -4.5174 0.9174 H 1 UNL1111111111 0.1450 48 H -0.0601 -4.7343 0.0880 H 1 UNL1111111111 0.1459 49 H -1.5890 -4.6264 -0.8769 H 1 UNL1111111111 0.1420 @BOND 1 1 8 1 2 1 17 1 3 2 17 2 4 3 23 1 5 3 27 1 6 4 23 2 7 5 7 1 8 5 18 1 9 5 23 am 10 6 10 1 11 6 16 1 12 6 20 1 13 7 8 1 14 7 9 1 15 7 11 1 16 8 14 1 17 8 15 1 18 9 12 1 19 9 17 1 20 9 28 1 21 10 12 1 22 10 13 1 23 10 19 1 24 11 13 1 25 11 29 1 26 11 30 1 27 12 31 1 28 12 32 1 29 13 33 1 30 13 34 1 31 14 16 1 32 14 35 1 33 14 36 1 34 15 18 ar 35 15 22 ar 36 16 37 1 37 16 38 1 38 18 24 ar 39 19 21 2 40 19 39 1 41 20 21 1 42 20 40 1 43 20 41 1 44 21 42 1 45 22 25 ar 46 22 43 1 47 24 26 ar 48 24 44 1 49 25 26 ar 50 25 45 1 51 26 46 1 52 27 47 1 53 27 48 1 54 27 49 1