@MOLECULE (1,2,3a,4,8,14,15,17-octahydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo(1)benzopyran(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinolin-1-yl)methyl 2-methylpropanoate 48 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.0088 0.8991 -1.1327 O.3 1 UNL1 -0.4136 2 O -5.3114 -3.5709 -0.4921 O.2 1 UNL1 -0.4387 3 O -6.5755 -0.4721 -2.7972 O.2 1 UNL1 -0.3274 4 O -2.7621 -1.2807 -1.1342 O.3 1 UNL1 -0.2998 5 O -0.2816 -0.2859 0.3043 O.2 1 UNL1 -0.3476 6 O 5.3265 1.6840 0.1957 O.2 1 UNL1 -0.1401 7 O -7.2757 -1.4892 3.6881 O.2 1 UNL1 -0.1173 8 O 1.2669 0.2962 -1.7563 O.2 1 UNL1 -0.3114 9 O 4.2346 4.0996 -0.0336 O.2 1 UNL1 -0.3072 10 O 3.1412 -1.6577 -0.8669 O.2 1 UNL1 -0.3467 11 O 8.1609 -3.4002 -0.0901 O.3 1 UNL1 -0.3613 12 O 10.3531 -2.6443 1.0964 O.2 1 UNL1 -0.5052 13 N -4.4837 -0.3972 0.0353 N.3 1 UNL1 -0.4679 14 C -5.3053 0.8623 0.1267 C.3 1 UNL1 0.1522 15 C -5.0759 -1.2679 -1.0069 C.3 1 UNL1 -0.3263 16 C -4.3857 1.9631 0.3283 C.2 1 UNL1 -0.0483 17 C -5.9679 -0.3333 -1.7863 C.2 1 UNL1 0.5576 18 C -3.0634 2.0531 0.3953 C.2 1 UNL1 0.0164 19 C -3.1095 -0.2584 -0.2733 C.3 1 UNL1 0.4401 20 C -6.3013 0.8066 1.2247 C.3 1 UNL1 0.2644 21 C -5.7941 -2.4634 -0.3523 C.2 1 UNL1 0.4719 22 C -2.3370 0.7979 0.0795 C.3 1 UNL1 -0.3422 23 C -3.7788 -1.8730 -1.7274 C.3 1 UNL1 0.5639 24 C -2.2092 3.1293 0.6110 C.3 1 UNL1 0.0773 25 C -0.8732 0.7520 0.1360 C.2 1 UNL1 0.4681 26 C -0.1373 2.0493 0.1072 C.ar 1 UNL1 -0.0854 27 C -0.8675 3.2614 0.5072 C.ar 1 UNL1 0.0004 28 C 1.2110 2.0732 -0.2149 C.ar 1 UNL1 -0.0601 29 C 0.0069 4.3287 0.6290 C.ar 1 UNL1 -0.0119 30 C 2.0364 3.2213 0.0246 C.ar 1 UNL1 -0.1100 31 C 1.2861 4.2952 0.4267 C.ar 1 UNL1 0.0210 32 C -7.5274 -1.6941 2.5956 C.1 1 UNL1 0.6073 33 C 1.8532 0.8997 -0.9021 C.2 1 UNL1 0.4751 34 C -7.8741 -1.8989 1.2520 C.1 1 UNL1 -0.3926 35 C 3.5008 3.1499 -0.0607 C.2 1 UNL1 0.4212 36 C 3.2599 0.6835 -0.5256 C.ar 1 UNL1 -0.3476 37 C 4.0201 1.7324 -0.1525 C.ar 1 UNL1 0.1542 38 C 3.7970 -0.6911 -0.5856 C.ar 1 UNL1 0.4990 39 C -9.2328 -1.9944 0.8524 C.3 1 UNL1 0.2533 40 C -6.9078 -2.1449 0.3763 C.1 1 UNL1 -0.2330 41 C 5.2301 -0.7491 -0.2515 C.ar 1 UNL1 -0.2213 42 C 5.9146 0.4485 0.1352 C.ar 1 UNL1 0.1843 43 C 6.0067 -1.8836 -0.2776 C.ar 1 UNL1 0.0324 44 C 7.2511 0.3354 0.4488 C.ar 1 UNL1 -0.0991 45 C 7.3001 -1.9433 0.0249 C.ar 1 UNL1 -0.0216 46 C 7.9001 -0.8052 0.3956 C.ar 1 UNL1 -0.0296 47 C 8.9150 -4.2553 -0.1468 C.3 1 UNL1 0.5444 48 C 10.8023 -1.7041 1.5664 C.2 1 UNL1 0.5088 @BOND 1 3 17 2 2 17 1 1 3 17 15 1 4 8 33 2 5 23 4 1 6 23 15 1 7 4 19 1 8 1 14 1 9 15 21 1 10 15 13 1 11 33 36 1 12 33 28 1 13 10 38 2 14 38 36 ar 15 38 41 ar 16 36 37 ar 17 2 21 1 18 21 40 2 19 43 41 ar 20 43 45 ar 21 19 13 1 22 19 22 1 23 41 42 ar 24 28 30 ar 25 28 26 ar 26 37 35 1 27 37 6 ar 28 47 11 1 29 11 45 1 30 35 9 2 31 35 30 1 32 30 31 ar 33 45 46 ar 34 13 14 1 35 22 25 1 36 22 18 1 37 26 25 1 38 26 27 ar 39 14 16 1 40 14 20 1 41 42 6 ar 42 42 44 ar 43 25 5 2 44 16 18 2 45 40 34 2 46 18 24 1 47 46 44 ar 48 31 29 ar 49 27 24 1 50 27 29 ar 51 39 34 1 52 12 48 2 53 34 32 2 54 32 7 2