@MOLECULE (2r,3s,4r,5r,8r,9s,10s,11r,12r)-5-ethyl-11-({(2s,3r,4s,6r)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl}oxy)-3-hydroxy-9-{[(2s,4s,6s)-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one 116 119 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.5889 -0.0275 1.2076 C.3 1 UNL1 0.0906 2 C 0.2655 -0.2191 2.4876 C.3 1 UNL1 0.2474 3 C -1.2751 1.3541 1.0960 C.3 1 UNL1 -0.1393 4 C -0.1561 -1.2942 -0.7772 C.3 1 UNL1 0.3085 5 C -1.8998 1.6287 -0.2881 C.3 1 UNL1 0.1375 6 C 1.0358 -1.5338 -1.7301 C.3 1 UNL1 0.0606 7 C 3.7698 0.6915 2.0006 C.3 1 UNL1 -0.1596 8 C -1.0455 1.8465 -1.5563 C.3 1 UNL1 -0.2083 9 C 1.6080 -2.9672 -1.8290 C.3 1 UNL1 0.0393 10 C -3.8398 0.6192 -1.2997 C.3 1 UNL1 0.3487 11 C -0.3179 -3.6809 -0.4342 C.3 1 UNL1 0.1898 12 C 3.5826 1.4378 0.6377 C.3 1 UNL1 0.1777 13 C -5.3994 -0.9581 -0.0023 C.3 1 UNL1 0.3178 14 C 2.9370 2.8377 0.6895 C.3 1 UNL1 -0.2034 15 C 2.3104 3.2812 -0.6588 C.3 1 UNL1 0.1666 16 C -5.2178 1.4975 0.4322 C.3 1 UNL1 0.1683 17 C 3.8193 -2.4093 -0.8307 C.3 1 UNL1 -0.0971 18 C 3.1674 2.9580 -1.8770 C.3 1 UNL1 -0.3047 19 C -0.4783 0.1840 3.7551 C.3 1 UNL1 -0.4898 20 C -0.4747 2.5697 1.5455 C.3 1 UNL1 -0.4563 21 C 3.3067 -2.5172 2.5817 C.3 1 UNL1 -0.4135 22 C 4.1140 1.5691 3.2010 C.3 1 UNL1 -0.4405 23 C -1.4649 3.1500 -2.2498 C.3 1 UNL1 -0.4504 24 C -0.8571 -4.5819 0.6770 C.3 1 UNL1 -0.4754 25 C -6.3526 -2.1446 -0.2111 C.3 1 UNL1 -0.5155 26 C 3.6304 -4.1219 -2.5634 C.3 1 UNL1 -0.2695 27 C 3.9654 3.9112 1.0630 C.3 1 UNL1 -0.4537 28 C -5.9184 2.8235 0.7109 C.3 1 UNL1 -0.4807 29 C -3.6925 -2.2015 1.1660 C.3 1 UNL1 -0.1985 30 C 4.9397 -1.4670 -1.2948 C.3 1 UNL1 -0.4308 31 C 2.6987 3.7212 -3.1136 C.3 1 UNL1 -0.4337 32 H 0.7032 -0.3145 -3.2258 H 1 UNL1 0.3511 33 H 1.9114 0.4624 0.1016 H 1 UNL1 0.3626 34 O 1.1392 1.2447 -2.2828 O.2 1 UNL1 -0.5715 35 C 1.1860 -3.8329 -0.6283 C.3 1 UNL1 -0.4037 36 C -4.5411 -0.7430 -1.2603 C.3 1 UNL1 -0.4030 37 C -6.1917 0.3184 0.3502 C.3 1 UNL1 -0.3730 38 O 0.5060 -1.2594 -3.0203 O.3 1 UNL1 -0.5827 39 O 2.8397 0.5955 -0.1975 O.3 1 UNL1 -0.5894 40 O 0.2743 -0.2571 0.1020 O.3 1 UNL1 -0.4701 41 O -2.6864 0.4584 -0.5049 O.3 1 UNL1 -0.4800 42 O -4.6440 -1.1587 1.1789 O.3 1 UNL1 -0.4107 43 O -0.5994 -2.3687 0.0202 O.3 1 UNL1 -0.5105 44 O -4.6264 1.6822 -0.8528 O.3 1 UNL1 -0.4737 45 C 0.8547 -1.6510 2.6166 C.3 1 UNL1 -0.3221 46 N 3.0697 -2.8681 -2.0238 N.3 1 UNL1 -0.4239 47 C 2.3338 -1.4144 2.4957 C.2 1 UNL1 -0.1602 48 C 0.4706 1.8879 -1.5079 C.2 1 UNL1 0.6698 49 O 1.4060 0.6643 2.3670 O.2 1 UNL1 -0.3702 50 O 0.9476 2.8360 -0.6934 O.3 1 UNL1 -0.4519 51 C 2.5505 -0.0989 2.3086 C.2 1 UNL1 0.1835 52 H -1.4073 -0.7949 1.2251 H 1 UNL1 0.1600 53 H -1.0721 -0.9412 -1.3106 H 1 UNL1 0.1504 54 H -3.5602 0.9497 -2.3259 H 1 UNL1 0.1231 55 H -2.1625 1.2702 1.7944 H 1 UNL1 0.1505 56 H 0.5840 -2.1344 3.5664 H 1 UNL1 0.1450 57 H 0.4920 -2.3170 1.8096 H 1 UNL1 0.1871 58 H -2.5867 2.5071 -0.1666 H 1 UNL1 0.1400 59 H 1.8628 -0.8058 -1.5179 H 1 UNL1 0.1942 60 H -0.6869 1.2604 3.7810 H 1 UNL1 0.1637 61 H -1.4288 -0.3512 3.8483 H 1 UNL1 0.1553 62 H 0.1260 -0.0322 4.6451 H 1 UNL1 0.1559 63 H 4.6163 -0.0315 1.8376 H 1 UNL1 0.1568 64 H -1.2815 0.9772 -2.2431 H 1 UNL1 0.1876 65 H 1.1838 -3.4173 -2.7732 H 1 UNL1 0.1604 66 H 0.6088 2.3929 1.4526 H 1 UNL1 0.1840 67 H -0.6934 3.4618 0.9475 H 1 UNL1 0.1500 68 H -0.6631 2.8238 2.5928 H 1 UNL1 0.1355 69 H -0.8757 -3.8315 -1.3869 H 1 UNL1 0.1206 70 H 4.5661 1.4871 0.1122 H 1 UNL1 0.1328 71 H 1.4650 -4.8857 -0.7925 H 1 UNL1 0.1453 72 H 1.7172 -3.5116 0.2892 H 1 UNL1 0.1676 73 H 2.9614 -3.4110 2.0421 H 1 UNL1 0.1450 74 H 4.2871 -2.2441 2.1644 H 1 UNL1 0.1490 75 H 3.4708 -2.8184 3.6284 H 1 UNL1 0.1502 76 H -5.1846 -0.8317 -2.1563 H 1 UNL1 0.1566 77 H -3.7801 -1.5455 -1.3462 H 1 UNL1 0.1784 78 H 2.1211 2.8158 1.4594 H 1 UNL1 0.1706 79 H 2.1062 4.3852 -0.6146 H 1 UNL1 0.1247 80 H 4.2303 0.9585 4.1060 H 1 UNL1 0.1466 81 H 5.0513 2.1141 3.0518 H 1 UNL1 0.1421 82 H 3.3140 2.2903 3.4132 H 1 UNL1 0.1567 83 H -4.4031 1.2935 1.1659 H 1 UNL1 0.1457 84 H -1.2090 4.0270 -1.6412 H 1 UNL1 0.1568 85 H -0.9712 3.2690 -3.2219 H 1 UNL1 0.1510 86 H -2.5471 3.1785 -2.4300 H 1 UNL1 0.1564 87 H -6.9654 0.5062 -0.4131 H 1 UNL1 0.1552 88 H -6.7148 0.1842 1.3137 H 1 UNL1 0.1586 89 H -1.9051 -4.3445 0.8981 H 1 UNL1 0.1551 90 H -0.8009 -5.6360 0.3909 H 1 UNL1 0.1460 91 H -0.2953 -4.4513 1.6097 H 1 UNL1 0.1572 92 H 4.2375 -3.2503 -0.2422 H 1 UNL1 0.1011 93 H 3.1457 -1.8405 -0.1436 H 1 UNL1 0.1610 94 H -6.8305 -2.4193 0.7373 H 1 UNL1 0.1606 95 H -7.1447 -1.9061 -0.9260 H 1 UNL1 0.1503 96 H -5.8250 -3.0296 -0.5795 H 1 UNL1 0.1522 97 H 3.1438 -4.3503 -3.5264 H 1 UNL1 0.1416 98 H 4.7027 -3.9700 -2.7728 H 1 UNL1 0.1426 99 H 3.5264 -4.9926 -1.9002 H 1 UNL1 0.1081 100 H 4.7681 3.9806 0.3197 H 1 UNL1 0.1450 101 H 3.4995 4.9009 1.1388 H 1 UNL1 0.1425 102 H 4.4369 3.7155 2.0307 H 1 UNL1 0.1521 103 H 4.2240 3.2052 -1.6599 H 1 UNL1 0.1358 104 H 3.1642 1.8584 -2.0765 H 1 UNL1 0.2121 105 H -6.6883 3.0329 -0.0417 H 1 UNL1 0.1570 106 H -6.3928 2.8205 1.6966 H 1 UNL1 0.1509 107 H -5.2037 3.6556 0.6757 H 1 UNL1 0.1581 108 H -4.1504 -3.1636 0.9287 H 1 UNL1 0.1106 109 H -2.8699 -1.9701 0.4722 H 1 UNL1 0.1577 110 H -3.3238 -2.1999 2.1996 H 1 UNL1 0.1393 111 H 5.5943 -1.9419 -2.0293 H 1 UNL1 0.1346 112 H 4.4993 -0.5782 -1.7746 H 1 UNL1 0.1713 113 H 5.5423 -1.1288 -0.4489 H 1 UNL1 0.1270 114 H 1.6699 3.4484 -3.3803 H 1 UNL1 0.1500 115 H 2.7330 4.8044 -2.9659 H 1 UNL1 0.1272 116 H 3.3250 3.4829 -3.9812 H 1 UNL1 0.1416 @BOND 1 116 31 1 2 97 26 1 3 114 31 1 4 32 38 1 5 85 23 1 6 31 115 1 7 31 18 1 8 38 6 1 9 65 9 1 10 98 26 1 11 26 46 1 12 26 99 1 13 86 23 1 14 54 10 1 15 34 48 2 16 23 84 1 17 23 8 1 18 64 8 1 19 76 36 1 20 104 18 1 21 111 30 1 22 46 9 1 23 46 17 1 24 18 103 1 25 18 15 1 26 9 6 1 27 9 35 1 28 112 30 1 29 6 59 1 30 6 4 1 31 8 48 1 32 8 5 1 33 48 50 1 34 69 11 1 35 77 36 1 36 53 4 1 37 10 36 1 38 10 44 1 39 10 41 1 40 30 17 1 41 30 113 1 42 36 13 1 43 95 25 1 44 44 16 1 45 17 92 1 46 17 93 1 47 71 35 1 48 4 43 1 49 4 40 1 50 50 15 1 51 15 79 1 52 15 14 1 53 35 11 1 54 35 72 1 55 96 25 1 56 41 5 1 57 11 43 1 58 11 24 1 59 87 37 1 60 5 58 1 61 5 3 1 62 25 13 1 63 25 94 1 64 39 33 1 65 39 12 1 66 105 28 1 67 13 37 1 68 13 42 1 69 40 1 1 70 70 12 1 71 100 27 1 72 37 16 1 73 37 88 1 74 90 24 1 75 16 28 1 76 16 83 1 77 109 29 1 78 12 14 1 79 12 7 1 80 107 28 1 81 24 89 1 82 24 91 1 83 14 27 1 84 14 78 1 85 28 106 1 86 108 29 1 87 67 20 1 88 27 101 1 89 27 102 1 90 3 1 1 91 3 20 1 92 3 55 1 93 29 42 1 94 29 110 1 95 1 52 1 96 1 2 1 97 66 20 1 98 20 68 1 99 57 45 1 100 63 7 1 101 7 51 1 102 7 22 1 103 73 21 1 104 74 21 1 105 51 49 1 106 51 47 2 107 49 2 1 108 2 45 1 109 2 19 1 110 47 21 1 111 47 45 1 112 21 75 1 113 45 56 1 114 81 22 1 115 22 82 1 116 22 80 1 117 19 60 1 118 19 61 1 119 19 62 1