@MOLECULE 6-hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 6-deoxy-3-c-methyl-beta-d-galactopyranoside 58 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.6344 -1.5438 0.2848 O.3 1 UNL1 -0.4519 2 O 4.9470 2.2729 0.2040 O.3 1 UNL1 -0.5789 3 O 1.6983 -0.8199 -0.8009 O.3 1 UNL1 -0.3811 4 O 3.4619 1.3622 2.1412 O.3 1 UNL1 -0.5462 5 O 3.7946 1.0658 -2.0801 O.3 1 UNL1 -0.5524 6 O -0.1164 0.6898 -0.5247 O.2 1 UNL1 -0.3252 7 O -5.0433 0.3713 0.3949 O.2 1 UNL1 -0.3676 8 O -3.5690 -3.5191 0.1394 O.3 1 UNL1 -0.4012 9 O -5.5152 -1.7391 0.4875 O.2 1 UNL1 -0.3787 10 O 0.3405 2.7909 -0.7037 O.2 1 UNL1 -0.4419 11 C 4.7020 0.8828 0.1045 C.3 1 UNL1 0.2573 12 C 4.3542 0.4424 1.5508 C.3 1 UNL1 0.0568 13 C 3.4534 0.6612 -0.7735 C.3 1 UNL1 0.0198 14 C 3.6309 -0.9315 1.5703 C.3 1 UNL1 0.1327 15 C 3.1252 -0.8470 -0.7960 C.3 1 UNL1 0.2864 16 C 5.9507 0.2016 -0.4346 C.3 1 UNL1 -0.4970 17 C 2.2217 -0.8442 2.1266 C.3 1 UNL1 -0.4779 18 C 0.9725 -1.9314 -0.6105 C.ar 1 UNL1 0.3164 19 C -0.4166 -1.6613 -0.4034 C.ar 1 UNL1 -0.0899 20 C -2.3123 -0.1428 -0.1044 C.ar 1 UNL1 -0.0903 21 C -0.9717 -0.3460 -0.3424 C.ar 1 UNL1 0.2224 22 C -1.2848 -2.7604 -0.2311 C.ar 1 UNL1 -0.0375 23 C -2.8170 1.1958 -0.0292 C.ar 1 UNL1 -0.0387 24 C -3.2035 -1.2348 0.0688 C.ar 1 UNL1 -0.2298 25 C -2.6888 -2.5130 -0.0091 C.ar 1 UNL1 0.3000 26 C 1.4663 -3.2231 -0.6265 C.ar 1 UNL1 -0.2959 27 C -1.9603 2.2901 -0.2064 C.ar 1 UNL1 -0.1746 28 C -4.1749 1.3990 0.2261 C.ar 1 UNL1 0.2089 29 C -0.7696 -4.0753 -0.2624 C.ar 1 UNL1 -0.2344 30 C 0.5784 -4.2963 -0.4525 C.ar 1 UNL1 -0.0522 31 C -2.4711 3.5909 -0.1182 C.ar 1 UNL1 0.0896 32 C -4.6168 -0.9654 0.3210 C.ar 1 UNL1 0.6104 33 C -0.5530 2.0156 -0.4853 C.ar 1 UNL1 0.6023 34 C -4.6976 2.6917 0.3168 C.ar 1 UNL1 -0.1543 35 C -3.8377 3.7708 0.1442 C.ar 1 UNL1 -0.1694 36 C -1.5865 4.7704 -0.2967 C.3 1 UNL1 -0.4612 37 H 5.2675 0.4265 2.1850 H 1 UNL1 0.1394 38 H 2.5881 1.2673 -0.3972 H 1 UNL1 0.1871 39 H 4.2434 -1.6832 2.1265 H 1 UNL1 0.1428 40 H 3.4953 -1.4015 -1.6842 H 1 UNL1 0.1551 41 H 6.8485 0.5685 0.0794 H 1 UNL1 0.1634 42 H 5.9108 -0.8876 -0.3129 H 1 UNL1 0.1666 43 H 6.0836 0.4083 -1.5062 H 1 UNL1 0.1726 44 H 2.2272 -0.4871 3.1660 H 1 UNL1 0.1708 45 H 1.6041 -0.1275 1.5612 H 1 UNL1 0.1819 46 H 1.7183 -1.8165 2.0956 H 1 UNL1 0.1516 47 H 4.9423 2.6762 -0.6927 H 1 UNL1 0.3472 48 H 3.6940 2.2797 1.8608 H 1 UNL1 0.3426 49 H 2.9826 1.3504 -2.5564 H 1 UNL1 0.3365 50 H 2.5292 -3.4164 -0.7544 H 1 UNL1 0.1832 51 H -1.4377 -4.9240 -0.1292 H 1 UNL1 0.1487 52 H 0.9729 -5.3137 -0.4672 H 1 UNL1 0.1534 53 H -5.7584 2.8363 0.5197 H 1 UNL1 0.1780 54 H -4.2365 4.7834 0.2145 H 1 UNL1 0.1630 55 H -0.7496 4.7623 0.4243 H 1 UNL1 0.1818 56 H -1.1140 4.7738 -1.2947 H 1 UNL1 0.1792 57 H -2.1076 5.7282 -0.1796 H 1 UNL1 0.1540 58 H -3.1462 -4.4179 0.0628 H 1 UNL1 0.3265 @BOND 1 49 5 1 2 5 13 1 3 40 15 1 4 43 16 1 5 56 36 1 6 3 15 1 7 3 18 1 8 15 13 1 9 15 1 1 10 13 38 1 11 13 11 1 12 50 26 1 13 10 33 2 14 47 2 1 15 26 18 ar 16 26 30 ar 17 18 19 ar 18 6 33 ar 19 6 21 ar 20 33 27 ar 21 52 30 1 22 30 29 ar 23 16 42 1 24 16 41 1 25 16 11 1 26 19 21 ar 27 19 22 ar 28 21 20 ar 29 36 57 1 30 36 31 1 31 36 55 1 32 29 22 ar 33 29 51 1 34 22 25 ar 35 27 31 ar 36 27 23 ar 37 31 35 ar 38 20 23 ar 39 20 24 ar 40 23 28 ar 41 25 24 ar 42 25 8 1 43 58 8 1 44 24 32 ar 45 11 2 1 46 11 12 1 47 35 54 1 48 35 34 ar 49 28 34 ar 50 28 7 ar 51 1 14 1 52 34 53 1 53 32 7 ar 54 32 9 2 55 12 14 1 56 12 4 1 57 12 37 1 58 45 17 1 59 14 39 1 60 14 17 1 61 48 4 1 62 46 17 1 63 17 44 1