@MOLECULE (1e,5e,7r,9e,11ar,14s,14ar,15ar,16as)-7-hydroxy-14-(1h-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3h-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13h)-trione 44 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.3530 5.5203 -0.0855 O.3 1 UNL1 -0.1194 2 O 1.1416 -6.4002 -0.3058 O.2 1 UNL1 -0.2605 3 O 0.4087 -3.8193 1.8906 O.2 1 UNL1 -0.4391 4 O -3.5805 2.1951 -0.5485 O.3 1 UNL1 0.1388 5 O 0.0891 0.7132 -1.8659 O.2 1 UNL1 -0.3592 6 N 2.5688 -4.4907 -0.2642 N.2 1 UNL1 -0.5484 7 N -4.6973 2.9447 -0.7037 N.1 1 UNL1 -0.4831 8 C 4.0572 -2.6205 -0.1587 C.2 1 UNL1 -0.6515 9 C 2.8136 1.6878 -0.3040 C.2 1 UNL1 -0.0245 10 C 3.7502 2.4617 -0.6780 C.1 1 UNL1 -0.0174 11 C 2.0890 -0.9298 0.1013 C.1 1 UNL1 -0.1527 12 C 5.3395 -2.2491 -0.2248 C.2 1 UNL1 0.5878 13 C 1.0397 0.0394 0.2367 C.3 1 UNL1 -0.1627 14 C 1.9603 -5.5700 -0.2838 C.1 1 UNL1 0.5981 15 C 3.8452 -4.0657 -0.2542 C.3 1 UNL1 0.3250 16 C 3.0122 -1.7080 -0.0169 C.1 1 UNL1 0.0142 17 C 0.9341 2.5832 0.8265 C.2 1 UNL1 0.0761 18 C 4.4121 3.5613 -0.8821 C.2 1 UNL1 -0.0986 19 C -0.0439 -2.7789 1.9856 C.2 1 UNL1 0.4385 20 C -0.3780 -2.4394 -1.4490 C.2 1 UNL1 -0.2337 21 C 0.0831 -0.0822 -0.9722 C.2 1 UNL1 0.4745 22 C -2.1403 -1.0886 -0.4149 C.2 1 UNL1 0.0579 23 C 4.4338 4.8820 -0.7301 C.3 1 UNL1 0.0150 24 C -3.0806 -2.0667 -0.3598 C.1 1 UNL1 -0.0407 25 C -0.8218 -1.2683 -0.9422 C.2 1 UNL1 -0.0968 26 C -5.5996 3.6774 -0.8744 C.1 1 UNL1 0.3413 27 C -3.8472 0.8870 -0.2296 C.3 1 UNL1 0.0535 28 C 2.4221 4.6741 0.2934 C.1 1 UNL1 0.0787 29 C -2.5658 0.2304 0.1368 C.2 1 UNL1 -0.0469 30 C -4.2445 -2.5551 -0.3096 C.2 1 UNL1 -0.0507 31 C 1.6482 3.7810 0.5933 C.1 1 UNL1 -0.1666 32 C -5.0152 0.2275 -0.1830 C.2 1 UNL1 -0.1096 33 C -1.8140 0.8448 1.0111 C.1 1 UNL1 -0.0388 34 C -5.5223 -2.1554 -0.2878 C.3 1 UNL1 0.0545 35 C -1.0861 1.5213 1.9383 C.2 1 UNL1 -0.4015 36 C -0.2381 2.6427 1.5370 C.3 1 UNL1 -0.1095 37 C -5.7061 -0.8388 -0.1753 C.2 1 UNL1 -0.0192 38 C 1.6043 1.4220 0.2698 C.2 1 UNL1 0.0423 39 C -1.1270 1.2137 3.2591 C.3 1 UNL1 0.4506 40 H 0.4538 -0.1719 1.1819 H 1 UNL1 0.2073 41 H 0.6126 -2.5690 -1.8603 H 1 UNL1 0.1566 42 H 5.1406 5.6430 -1.0065 H 1 UNL1 0.1903 43 H -0.9821 -3.3350 -1.4876 H 1 UNL1 0.1648 44 H -0.6114 3.6216 1.8540 H 1 UNL1 0.1653 @BOND 1 5 21 2 2 41 20 1 3 43 20 1 4 20 25 2 5 42 23 1 6 21 25 1 7 21 13 1 8 25 22 1 9 18 23 1 10 18 10 2 11 26 7 3 12 23 1 1 13 7 4 1 14 10 9 2 15 4 27 1 16 22 24 2 17 22 29 1 18 24 30 2 19 30 34 1 20 2 14 2 21 9 38 1 22 34 37 1 23 14 6 2 24 6 15 1 25 15 8 1 26 27 32 1 27 27 29 1 28 12 8 2 29 32 37 2 30 8 16 1 31 1 28 1 32 16 11 3 33 11 13 1 34 29 33 2 35 13 38 1 36 13 40 1 37 38 17 2 38 28 31 3 39 31 17 1 40 17 36 1 41 33 35 2 42 36 44 1 43 36 35 1 44 3 19 2 45 35 39 1