@MOLECULE (3r,5s,6s,7s,9r,11e,13r,14r)-14-ethyl-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-l-lyxo-hexopyranoside 83 84 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.8816 0.3361 -0.4588 C.3 1 UNL1 0.1204 2 C -5.7494 0.2623 -0.2310 C.3 1 UNL1 0.0024 3 C -4.4332 0.6811 0.4871 C.3 1 UNL1 0.0428 4 C 0.0468 1.4796 0.0355 C.3 1 UNL1 -0.0983 5 C -3.2724 0.2986 -0.4629 C.3 1 UNL1 0.2550 6 C -0.5069 -1.1395 -0.1740 C.3 1 UNL1 -0.2353 7 C -4.4451 -1.6183 -1.2741 C.3 1 UNL1 0.1551 8 C 1.5067 3.3605 -1.0641 C.3 1 UNL1 -0.1863 9 C 1.7149 -2.5109 -0.0636 C.3 1 UNL1 -0.2785 10 C 4.9981 -0.8855 0.3341 C.3 1 UNL1 0.1373 11 C 5.0220 0.5774 0.8357 C.3 1 UNL1 -0.1291 12 C 5.8138 -1.8679 1.1819 C.3 1 UNL1 -0.3083 13 C 0.8429 1.1292 1.2880 C.3 1 UNL1 -0.4502 14 C -0.7216 -1.5474 1.2786 C.3 1 UNL1 -0.4310 15 C -4.2035 -3.1253 -1.3174 C.3 1 UNL1 -0.4675 16 C -7.0677 0.1775 1.8620 C.3 1 UNL1 -0.2667 17 C -7.2627 2.0751 0.3682 C.3 1 UNL1 -0.2789 18 C 0.9503 4.2573 0.0402 C.3 1 UNL1 -0.4392 19 C 1.2977 -3.8670 -0.6264 C.3 1 UNL1 -0.4206 20 C 4.4239 0.6927 2.2385 C.3 1 UNL1 -0.4354 21 C 7.3015 -1.5347 1.1491 C.3 1 UNL1 -0.4338 22 H -3.8799 -0.8723 1.5612 H 1 UNL1 0.3297 23 O 1.2539 -0.8983 -1.7361 O.2 1 UNL1 -0.4588 24 O 3.6863 4.0449 -1.7053 O.2 1 UNL1 -0.4583 25 O 3.8938 -2.8751 -1.1058 O.2 1 UNL1 -0.4932 26 C -5.6998 -1.2608 -0.4689 C.3 1 UNL1 -0.3567 27 C 0.9803 1.9121 -1.1101 C.3 1 UNL1 -0.2935 28 O -4.3029 0.0063 1.7109 O.3 1 UNL1 -0.5297 29 O -2.1042 0.6216 0.2271 O.3 1 UNL1 -0.4080 30 C 0.8656 -1.4362 -0.7295 C.2 1 UNL1 0.4814 31 C 3.0279 3.3750 -0.9476 C.2 1 UNL1 0.4679 32 C 3.1781 -2.2718 -0.3532 C.2 1 UNL1 0.6178 33 O -3.2794 -1.1153 -0.6265 O.3 1 UNL1 -0.4932 34 O 3.6154 -1.2629 0.4390 O.3 1 UNL1 -0.4569 35 C 3.6589 2.5653 0.1179 C.2 1 UNL1 -0.2987 36 C 4.3329 1.4507 -0.1705 C.2 1 UNL1 -0.0826 37 N -7.0047 0.6198 0.4543 N.3 1 UNL1 -0.3962 38 H -1.0424 0.4431 -1.5595 H 1 UNL1 0.1284 39 H -5.7785 0.7746 -1.2326 H 1 UNL1 0.1374 40 H -4.4166 1.7520 0.7720 H 1 UNL1 0.1545 41 H -0.6402 2.3323 0.2884 H 1 UNL1 0.1582 42 H -3.3051 0.7871 -1.4572 H 1 UNL1 0.1117 43 H -5.7067 -1.8002 0.4970 H 1 UNL1 0.1623 44 H -6.6156 -1.5878 -0.9961 H 1 UNL1 0.1671 45 H -1.2227 -1.7637 -0.7946 H 1 UNL1 0.1909 46 H -4.4832 -1.1821 -2.2976 H 1 UNL1 0.1170 47 H 1.8376 1.2054 -1.1562 H 1 UNL1 0.1695 48 H 0.4658 1.7665 -2.0821 H 1 UNL1 0.1464 49 H 1.2485 3.8396 -2.0481 H 1 UNL1 0.1610 50 H 1.5167 0.2793 1.1202 H 1 UNL1 0.1517 51 H 1.4725 1.9698 1.6038 H 1 UNL1 0.1460 52 H 0.1754 0.8897 2.1239 H 1 UNL1 0.1497 53 H -1.6404 -1.0785 1.6715 H 1 UNL1 0.1752 54 H -0.8497 -2.6305 1.3809 H 1 UNL1 0.1388 55 H 0.0905 -1.2343 1.9423 H 1 UNL1 0.1499 56 H -4.0411 -3.5308 -0.3106 H 1 UNL1 0.1590 57 H -5.0550 -3.6518 -1.7610 H 1 UNL1 0.1551 58 H -3.3091 -3.3631 -1.9073 H 1 UNL1 0.1584 59 H 1.5695 -2.4922 1.0478 H 1 UNL1 0.1913 60 H -6.3758 0.7092 2.5360 H 1 UNL1 0.1417 61 H -8.0990 0.3176 2.2251 H 1 UNL1 0.1383 62 H -6.8335 -0.8962 1.9295 H 1 UNL1 0.1442 63 H -7.2913 2.3816 -0.6894 H 1 UNL1 0.1400 64 H -8.2615 2.2798 0.7900 H 1 UNL1 0.1473 65 H -6.5316 2.7011 0.9007 H 1 UNL1 0.1225 66 H 1.1673 3.8699 1.0423 H 1 UNL1 0.1504 67 H 1.3752 5.2679 -0.0233 H 1 UNL1 0.1497 68 H -0.1385 4.3615 -0.0445 H 1 UNL1 0.1519 69 H 1.4784 -3.9215 -1.7119 H 1 UNL1 0.1728 70 H 1.8787 -4.6825 -0.1751 H 1 UNL1 0.1603 71 H 0.2365 -4.0730 -0.4467 H 1 UNL1 0.1501 72 H 5.3048 -0.9452 -0.7367 H 1 UNL1 0.1449 73 H 6.0995 0.8993 0.8779 H 1 UNL1 0.1620 74 H 3.5294 2.9576 1.1223 H 1 UNL1 0.1695 75 H 4.4332 1.1131 -1.2079 H 1 UNL1 0.1567 76 H 5.4387 -1.8854 2.2220 H 1 UNL1 0.1478 77 H 5.6499 -2.8952 0.7916 H 1 UNL1 0.1586 78 H 4.9361 0.0349 2.9495 H 1 UNL1 0.1448 79 H 4.5031 1.7134 2.6279 H 1 UNL1 0.1427 80 H 3.3626 0.4107 2.2405 H 1 UNL1 0.1603 81 H 7.6760 -1.4547 0.1212 H 1 UNL1 0.1505 82 H 7.5209 -0.5910 1.6609 H 1 UNL1 0.1428 83 H 7.8898 -2.3155 1.6465 H 1 UNL1 0.1459 @BOND 1 46 7 1 2 48 27 1 3 49 8 1 4 58 15 1 5 57 15 1 6 23 30 2 7 69 19 1 8 24 31 2 9 38 1 1 10 42 5 1 11 15 7 1 12 15 56 1 13 7 33 1 14 7 26 1 15 39 2 1 16 75 36 1 17 47 27 1 18 27 8 1 19 27 4 1 20 25 32 2 21 8 31 1 22 8 18 1 23 44 26 1 24 31 35 1 25 45 6 1 26 72 10 1 27 30 6 1 28 30 9 1 29 63 17 1 30 33 5 1 31 19 71 1 32 19 70 1 33 19 9 1 34 26 2 1 35 26 43 1 36 5 29 1 37 5 3 1 38 1 6 1 39 1 4 1 40 1 29 1 41 32 9 1 42 32 34 1 43 2 37 1 44 2 3 1 45 6 14 1 46 36 35 2 47 36 11 1 48 9 59 1 49 68 18 1 50 67 18 1 51 4 41 1 52 4 13 1 53 18 66 1 54 35 74 1 55 81 21 1 56 10 34 1 57 10 11 1 58 10 12 1 59 17 37 1 60 17 64 1 61 17 65 1 62 37 16 1 63 3 40 1 64 3 28 1 65 77 12 1 66 11 73 1 67 11 20 1 68 50 13 1 69 21 12 1 70 21 83 1 71 21 82 1 72 12 76 1 73 14 54 1 74 14 53 1 75 14 55 1 76 13 51 1 77 13 52 1 78 22 28 1 79 16 62 1 80 16 61 1 81 16 60 1 82 20 80 1 83 20 79 1 84 20 78 1