@MOLECULE 6h-benzo(d)naphtho(1,2-b)pyran-6-one, 4-(6-deoxy-alpha-galactofuranosyl)-8-ethyl-1-hydroxy-10,12-dimethoxy- 64 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.3125 0.9415 1.1942 O.3 1 UNL1 -0.4129 2 O -2.1481 2.9101 -1.1493 O.3 1 UNL1 -0.5754 3 O -4.9067 0.9258 -1.5638 O.3 1 UNL1 -0.5645 4 O -6.7664 1.4070 0.3462 O.3 1 UNL1 -0.5871 5 O 0.2796 1.0843 -0.3222 O.2 1 UNL1 -0.3667 6 O 1.0720 -4.3081 -0.4792 O.3 1 UNL1 -0.3815 7 O -1.5110 -4.6444 -0.3923 O.3 1 UNL1 -0.4781 8 O 4.4730 -1.4412 0.5216 O.3 1 UNL1 -0.3039 9 O 0.8996 3.0997 -0.8115 O.2 1 UNL1 -0.4380 10 C -2.2457 0.8983 0.2385 C.3 1 UNL1 0.0714 11 C -4.4046 1.7136 0.7100 C.3 1 UNL1 -0.0128 12 C -2.7169 1.6286 -1.0409 C.3 1 UNL1 0.1017 13 C -4.2232 1.8979 -0.8097 C.3 1 UNL1 0.0952 14 C -1.9481 -0.5503 -0.0250 C.ar 1 UNL1 -0.1081 15 C -5.6716 0.9257 1.1044 C.3 1 UNL1 0.1596 16 C -0.6349 -1.0625 -0.1453 C.ar 1 UNL1 0.0299 17 C -3.0350 -1.4057 -0.1192 C.ar 1 UNL1 -0.0368 18 C -5.9499 1.0364 2.5954 C.3 1 UNL1 -0.5024 19 C -0.4327 -2.4650 -0.2420 C.ar 1 UNL1 -0.1705 20 C 0.5450 -0.2447 -0.1902 C.ar 1 UNL1 0.1941 21 C 1.8378 -0.7335 -0.1510 C.ar 1 UNL1 -0.0655 22 C -1.5816 -3.3001 -0.2993 C.ar 1 UNL1 0.3139 23 C -2.8673 -2.7854 -0.2621 C.ar 1 UNL1 -0.2666 24 C 0.9109 -2.9530 -0.2763 C.ar 1 UNL1 0.2078 25 C 2.0089 -2.1406 -0.2158 C.ar 1 UNL1 -0.2220 26 C 2.9410 0.2042 -0.0929 C.ar 1 UNL1 -0.0309 27 C 2.6748 1.5590 -0.3223 C.ar 1 UNL1 -0.1191 28 C 1.2961 2.0005 -0.5218 C.ar 1 UNL1 0.6000 29 C 4.2849 -0.1361 0.1999 C.ar 1 UNL1 0.2302 30 C 3.6822 2.5263 -0.3441 C.ar 1 UNL1 -0.1749 31 C 5.0007 2.1519 -0.1097 C.ar 1 UNL1 0.0676 32 C 5.2994 0.8150 0.1764 C.ar 1 UNL1 -0.2830 33 C 6.0981 3.1707 -0.1420 C.3 1 UNL1 -0.2703 34 C 1.8571 -4.9618 0.5153 C.3 1 UNL1 -0.1821 35 C 6.4615 3.6019 1.2808 C.3 1 UNL1 -0.4266 36 C 5.7926 -1.8566 0.8491 C.3 1 UNL1 -0.2054 37 H -1.4245 1.4391 0.7626 H 1 UNL1 0.1671 38 H -4.3415 2.6906 1.2356 H 1 UNL1 0.1385 39 H -2.5234 1.0641 -1.9759 H 1 UNL1 0.1581 40 H -4.5250 2.9042 -1.1671 H 1 UNL1 0.1464 41 H -5.6047 -0.1385 0.7721 H 1 UNL1 0.1574 42 H -4.0503 -0.9938 -0.0871 H 1 UNL1 0.1772 43 H -6.8527 0.4786 2.8730 H 1 UNL1 0.1592 44 H -5.1103 0.6223 3.1739 H 1 UNL1 0.1745 45 H -6.0882 2.0726 2.9207 H 1 UNL1 0.1489 46 H -1.1661 2.8721 -1.0862 H 1 UNL1 0.3501 47 H -5.8670 0.9553 -1.3455 H 1 UNL1 0.3446 48 H -3.7239 -3.4513 -0.3378 H 1 UNL1 0.1809 49 H -7.0475 2.2941 0.6364 H 1 UNL1 0.3248 50 H 3.0076 -2.5712 -0.2689 H 1 UNL1 0.1869 51 H 3.4251 3.5694 -0.5434 H 1 UNL1 0.1836 52 H 6.3299 0.5394 0.3830 H 1 UNL1 0.1674 53 H -0.5636 -4.9488 -0.4742 H 1 UNL1 0.3535 54 H 6.9920 2.7644 -0.6583 H 1 UNL1 0.1483 55 H 5.7994 4.0584 -0.7383 H 1 UNL1 0.1550 56 H 2.9044 -4.6547 0.4344 H 1 UNL1 0.1347 57 H 1.7465 -6.0214 0.2518 H 1 UNL1 0.1487 58 H 1.4662 -4.7614 1.5177 H 1 UNL1 0.1383 59 H 5.5987 4.0425 1.7963 H 1 UNL1 0.1537 60 H 7.2617 4.3506 1.2767 H 1 UNL1 0.1444 61 H 6.8037 2.7541 1.8847 H 1 UNL1 0.1438 62 H 6.4614 -1.7484 -0.0101 H 1 UNL1 0.1368 63 H 5.6439 -2.9186 1.0890 H 1 UNL1 0.1540 64 H 6.1685 -1.3197 1.7253 H 1 UNL1 0.1367 @BOND 1 39 12 1 2 3 47 1 3 3 13 1 4 40 13 1 5 2 46 1 6 2 12 1 7 12 13 1 8 12 10 1 9 9 28 2 10 13 11 1 11 55 33 1 12 54 33 1 13 51 30 1 14 28 27 ar 15 28 5 ar 16 6 24 1 17 6 34 1 18 53 7 1 19 7 22 1 20 30 27 ar 21 30 31 ar 22 48 23 1 23 27 26 ar 24 5 20 ar 25 22 23 ar 26 22 19 ar 27 24 19 ar 28 24 25 ar 29 50 25 1 30 23 17 ar 31 19 16 ar 32 25 21 ar 33 20 21 ar 34 20 16 ar 35 21 26 ar 36 16 14 ar 37 33 31 1 38 33 35 1 39 17 42 1 40 17 14 ar 41 31 32 ar 42 26 29 ar 43 14 10 1 44 62 36 1 45 32 29 ar 46 32 52 1 47 29 8 1 48 10 37 1 49 10 1 1 50 57 34 1 51 4 49 1 52 4 15 1 53 56 34 1 54 34 58 1 55 8 36 1 56 11 15 1 57 11 1 1 58 11 38 1 59 41 15 1 60 36 63 1 61 36 64 1 62 15 18 1 63 60 35 1 64 35 59 1 65 35 61 1 66 18 43 1 67 18 45 1 68 18 44 1