@MOLECULE (1s,2s,17s,19r)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]docosa-4(13),5,9,11,15-pentaene-14,18-dione 44 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.4440 2.0891 1.5122 O.2 1 UNL1 -0.3307 2 O 1.1855 -1.4402 -0.1436 O.2 1 UNL1 -0.0598 3 O 7.3233 -0.4294 0.3470 O.2 1 UNL1 -0.3873 4 O 1.8354 2.5121 -1.2922 O.3 1 UNL1 -0.2719 5 O -3.4320 -1.0561 0.0745 O.2 1 UNL1 -0.2835 6 O -0.7227 2.8761 -0.6562 O.2 1 UNL1 -0.4072 7 C 2.4606 -0.9809 -0.3521 C.2 1 UNL1 -0.0770 8 C 3.4695 -2.0026 -0.4254 C.2 1 UNL1 0.4066 9 C 6.4468 1.7284 0.9418 C.2 1 UNL1 0.4065 10 C 3.1149 -3.3008 -0.4356 C.1 1 UNL1 -0.7850 11 C 4.8425 -1.5408 -0.4977 C.2 1 UNL1 -0.5656 12 C 5.0874 -0.1202 -0.2186 C.2 1 UNL1 -0.0895 13 C 2.7295 0.3901 -0.5763 C.3 1 UNL1 -0.1168 14 C 6.3701 0.3104 0.3434 C.2 1 UNL1 0.3813 15 C 4.0414 0.6748 -0.3864 C.2 1 UNL1 -0.1499 16 C 5.2749 2.5189 0.7886 C.1 1 UNL1 -0.2136 17 C 2.7265 -4.4983 -0.4133 C.1 1 UNL1 0.1911 18 C 5.8998 -2.3572 -0.6728 C.2 1 UNL1 0.6366 19 C 1.6302 1.2588 -0.8115 C.3 1 UNL1 0.4184 20 C 0.1877 -0.5837 -0.2922 C.2 1 UNL1 0.3474 21 C 0.3459 0.7846 -0.5857 C.2 1 UNL1 -0.3817 22 C 4.2361 3.1336 0.6305 C.1 1 UNL1 0.1162 23 C -1.1007 -1.2298 -0.1128 C.2 1 UNL1 -0.2406 24 C -0.8359 1.6797 -0.5682 C.2 1 UNL1 0.5330 25 C 3.0282 3.7926 0.4199 C.2 1 UNL1 -0.7571 26 C -2.2428 -0.3426 -0.1414 C.2 1 UNL1 0.2521 27 C -2.1236 1.0012 -0.3654 C.2 1 UNL1 -0.2039 28 C -1.1342 -2.5536 0.0156 C.1 1 UNL1 0.2589 29 C 2.4063 3.5751 -0.9170 C.3 1 UNL1 0.5202 30 C 2.4987 4.6509 1.2842 C.2 1 UNL1 0.5559 31 C -3.3811 1.6062 -0.3499 C.2 1 UNL1 -0.0150 32 C -5.5040 0.3608 0.0368 C.2 1 UNL1 -0.1846 33 C -1.0020 -3.8225 0.0389 C.2 1 UNL1 -0.2715 34 C -4.5752 1.3689 -0.2051 C.2 1 UNL1 -0.0936 35 C -6.8112 0.3864 0.1503 C.1 1 UNL1 0.0344 36 C -4.6851 -0.9082 0.1615 C.2 1 UNL1 0.4358 37 C -0.7057 -5.0095 0.7892 C.2 1 UNL1 -0.8085 38 C -8.0751 0.4180 0.2573 C.1 1 UNL1 -0.0266 39 C -0.3335 -5.5960 1.9014 C.2 1 UNL1 0.6146 40 C -0.8943 -5.1553 -0.6407 C.3 1 UNL1 0.5713 41 C -9.3672 0.4498 0.3634 C.2 1 UNL1 -0.1375 42 C -10.4874 1.3621 0.3193 C.2 1 UNL1 -0.8370 43 C -10.9905 2.5555 0.1798 C.3 1 UNL1 0.5532 44 C -10.7081 -0.0677 0.5570 C.3 1 UNL1 0.4619 @BOND 1 4 29 1 2 4 19 1 3 29 25 1 4 19 21 1 5 19 13 1 6 18 11 2 7 6 24 2 8 40 33 1 9 40 37 1 10 21 24 1 11 21 20 2 12 13 15 1 13 13 7 1 14 24 27 1 15 11 8 1 16 11 12 1 17 10 8 1 18 10 17 3 19 8 7 2 20 15 12 2 21 27 31 1 22 27 26 2 23 7 2 1 24 31 34 2 25 20 2 1 26 20 23 1 27 12 14 1 28 34 32 1 29 26 23 1 30 26 5 1 31 23 28 2 32 28 33 2 33 32 35 1 34 32 36 2 35 33 37 1 36 5 36 1 37 35 38 3 38 43 42 1 39 38 41 1 40 42 41 2 41 42 44 1 42 14 3 2 43 14 9 1 44 41 44 1 45 25 22 1 46 25 30 2 47 22 16 3 48 16 9 1 49 37 39 2 50 9 1 2