@MOLECULE (1r,4e,5's,6s,6's,7r,8s,10r,11r,12s,14r,15s,16r,18e,20e,22r,25s,27r,28s,29r)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2r)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3h,9h,13h-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione 130 132 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.1635 1.5713 -0.7230 C.3 1 UNL1111111111 -0.4391 2 C -5.0512 0.6508 -1.2155 C.3 1 UNL1111111111 -0.1889 3 C -3.7418 0.9523 -0.4731 C.3 1 UNL1111111111 0.1240 4 C -2.6045 -0.0171 -0.8626 C.3 1 UNL1111111111 -0.1823 5 C -2.1883 0.1722 -2.3205 C.3 1 UNL1111111111 -0.4391 6 O -3.3294 2.2430 -0.9443 O.3 1 UNL1111111111 -0.4425 7 C -2.7862 3.1043 -0.0512 C.2 1 UNL1111111111 0.6200 8 O -2.8936 2.9699 1.1448 O.2 1 UNL1111111111 -0.5282 9 C -2.0100 4.1260 -0.7623 C.2 1 UNL1111111111 -0.3407 10 C -1.4637 5.1472 -0.0902 C.2 1 UNL1111111111 -0.0054 11 C -0.4484 6.0844 -0.6582 C.3 1 UNL1111111111 -0.1497 12 C -0.5469 6.2232 -2.1789 C.3 1 UNL1111111111 -0.4480 13 C 0.9860 5.6361 -0.2582 C.3 1 UNL1111111111 0.1662 14 O 1.3842 6.5516 0.7388 O.3 1 UNL1111111111 -0.5799 15 C 1.1200 4.1844 0.2688 C.3 1 UNL1111111111 -0.2654 16 C 0.5421 4.0035 1.6773 C.3 1 UNL1111111111 -0.4420 17 C 2.5979 3.8558 0.3769 C.2 1 UNL1111111111 0.4837 18 O 3.3578 4.6802 0.8410 O.2 1 UNL1111111111 -0.5267 19 C 3.0801 2.4969 -0.0873 C.3 1 UNL1111111111 -0.2491 20 C 2.3122 1.4171 0.6653 C.3 1 UNL1111111111 -0.4307 21 C 4.6196 2.4163 0.0885 C.3 1 UNL1111111111 0.1703 22 O 5.0041 2.6164 1.4315 O.3 1 UNL1111111111 -0.5664 23 C 5.3143 1.0959 -0.3047 C.3 1 UNL1111111111 -0.2033 24 C 4.8047 0.5505 -1.6360 C.3 1 UNL1111111111 -0.4335 25 C 5.2098 0.0145 0.7448 C.2 1 UNL1111111111 0.4706 26 O 4.3422 -0.0838 1.5707 O.2 1 UNL1111111111 -0.4528 27 C 6.3037 -1.0833 0.7515 C.3 1 UNL1111111111 0.1710 28 C 6.9438 -1.1403 2.1341 C.3 1 UNL1111111111 -0.5028 29 O 7.2700 -0.8406 -0.2401 O.3 1 UNL1111111111 -0.5409 30 C 5.5940 -2.4123 0.3848 C.3 1 UNL1111111111 0.1268 31 O 4.7077 -2.0517 -0.6589 O.3 1 UNL1111111111 -0.5774 32 C 6.5446 -3.5481 -0.0445 C.3 1 UNL1111111111 -0.1130 33 C 6.8526 -3.4783 -1.5400 C.3 1 UNL1111111111 -0.4361 34 C 5.9400 -4.9248 0.3356 C.3 1 UNL1111111111 -0.3038 35 C 4.5931 -5.0888 -0.2868 C.2 1 UNL1111111111 -0.1524 36 C 3.4559 -4.7784 0.3499 C.2 1 UNL1111111111 -0.1776 37 C 2.1864 -4.6959 -0.3651 C.2 1 UNL1111111111 -0.2104 38 C 1.4184 -3.6040 -0.2603 C.2 1 UNL1111111111 -0.1335 39 C 0.2116 -3.3749 -1.1183 C.3 1 UNL1111111111 -0.1149 40 C 0.6735 -2.6576 -2.4100 C.3 1 UNL1111111111 -0.2544 41 C 1.4288 -1.3544 -2.1507 C.3 1 UNL1111111111 -0.4426 42 C -0.8513 -2.5678 -0.3492 C.3 1 UNL1111111111 -0.2692 43 C -2.1912 -2.5662 -1.0890 C.3 1 UNL1111111111 -0.3009 44 C -3.1138 -1.4470 -0.5867 C.3 1 UNL1111111111 0.1189 45 O -4.3122 -1.6681 -1.3217 O.3 1 UNL1111111111 -0.4745 46 C -5.3996 -0.8399 -0.9750 C.3 1 UNL1111111111 0.4585 47 O -5.6648 -0.9262 0.4002 O.3 1 UNL1111111111 -0.4697 48 C -6.5583 -1.3647 -1.8355 C.3 1 UNL1111111111 -0.3268 49 C -7.0130 -2.7390 -1.3366 C.3 1 UNL1111111111 -0.2642 50 C -7.2797 -2.7261 0.1806 C.3 1 UNL1111111111 -0.1369 51 C -8.4845 -1.8491 0.5242 C.3 1 UNL1111111111 -0.4436 52 C -5.9901 -2.2333 0.8678 C.3 1 UNL1111111111 0.1299 53 C -6.1187 -2.0524 2.3839 C.3 1 UNL1111111111 -0.3351 54 C -4.7447 -1.7455 2.9943 C.3 1 UNL1111111111 0.1960 55 C -4.8329 -1.4865 4.4979 C.3 1 UNL1111111111 -0.5093 56 O -3.9724 -2.9132 2.7436 O.3 1 UNL1111111111 -0.5835 57 H -6.4120 1.3726 0.3292 H 1 UNL1111111111 0.1636 58 H -5.8589 2.6236 -0.7962 H 1 UNL1111111111 0.1553 59 H -7.0818 1.4516 -1.3062 H 1 UNL1111111111 0.1404 60 H -4.8945 0.8010 -2.3108 H 1 UNL1111111111 0.1636 61 H -3.9038 0.9737 0.6292 H 1 UNL1111111111 0.1598 62 H -1.7262 0.1908 -0.2059 H 1 UNL1111111111 0.1467 63 H -2.9470 -0.2305 -3.0038 H 1 UNL1111111111 0.1537 64 H -2.0531 1.2318 -2.5672 H 1 UNL1111111111 0.1499 65 H -1.2446 -0.3420 -2.5365 H 1 UNL1111111111 0.1451 66 H -1.8642 3.9516 -1.8267 H 1 UNL1111111111 0.1827 67 H -1.6999 5.3190 0.9687 H 1 UNL1111111111 0.1687 68 H -0.6002 7.1053 -0.2014 H 1 UNL1111111111 0.1820 69 H -1.5683 6.4814 -2.4863 H 1 UNL1111111111 0.1543 70 H 0.1098 7.0205 -2.5484 H 1 UNL1111111111 0.1504 71 H -0.2699 5.2994 -2.6986 H 1 UNL1111111111 0.1459 72 H 1.6771 5.7797 -1.1240 H 1 UNL1111111111 0.1192 73 H 2.2488 6.2628 1.1211 H 1 UNL1111111111 0.3521 74 H 0.6093 3.4965 -0.4452 H 1 UNL1111111111 0.1704 75 H -0.4555 3.5407 1.6573 H 1 UNL1111111111 0.1710 76 H 1.1668 3.3631 2.3137 H 1 UNL1111111111 0.1560 77 H 0.4488 4.9668 2.2013 H 1 UNL1111111111 0.1739 78 H 2.8607 2.4003 -1.1823 H 1 UNL1111111111 0.1652 79 H 1.2276 1.5507 0.6175 H 1 UNL1111111111 0.1407 80 H 2.5333 0.4171 0.2641 H 1 UNL1111111111 0.1712 81 H 2.6152 1.3814 1.7252 H 1 UNL1111111111 0.1832 82 H 5.0716 3.2472 -0.5139 H 1 UNL1111111111 0.1147 83 H 4.6699 3.4872 1.7420 H 1 UNL1111111111 0.3403 84 H 6.4050 1.3482 -0.4193 H 1 UNL1111111111 0.1618 85 H 3.7841 0.1547 -1.5558 H 1 UNL1111111111 0.1573 86 H 4.8270 1.3082 -2.4234 H 1 UNL1111111111 0.1388 87 H 5.4336 -0.2956 -1.9681 H 1 UNL1111111111 0.1818 88 H 7.6898 -1.9393 2.2040 H 1 UNL1111111111 0.1583 89 H 7.4394 -0.1947 2.3889 H 1 UNL1111111111 0.1611 90 H 6.1867 -1.3109 2.9153 H 1 UNL1111111111 0.1808 91 H 7.9458 -0.2062 0.0735 H 1 UNL1111111111 0.3137 92 H 4.9668 -2.7221 1.2577 H 1 UNL1111111111 0.1349 93 H 4.1851 -2.8298 -0.9517 H 1 UNL1111111111 0.3308 94 H 7.5055 -3.4289 0.5149 H 1 UNL1111111111 0.1435 95 H 5.9630 -3.6467 -2.1556 H 1 UNL1111111111 0.1439 96 H 7.2327 -2.4802 -1.8079 H 1 UNL1111111111 0.1718 97 H 7.6081 -4.2139 -1.8298 H 1 UNL1111111111 0.1343 98 H 6.6264 -5.7281 0.0012 H 1 UNL1111111111 0.1492 99 H 5.8942 -5.0214 1.4379 H 1 UNL1111111111 0.1443 100 H 4.6010 -5.4147 -1.3260 H 1 UNL1111111111 0.1468 101 H 3.4333 -4.4972 1.4033 H 1 UNL1111111111 0.1568 102 H 1.9398 -5.5270 -1.0219 H 1 UNL1111111111 0.1538 103 H 1.6690 -2.7879 0.4188 H 1 UNL1111111111 0.1550 104 H -0.2415 -4.3551 -1.4130 H 1 UNL1111111111 0.1408 105 H 1.3172 -3.3472 -2.9897 H 1 UNL1111111111 0.1329 106 H -0.2066 -2.4585 -3.0511 H 1 UNL1111111111 0.1367 107 H 1.6943 -0.8605 -3.0914 H 1 UNL1111111111 0.1369 108 H 0.8324 -0.6480 -1.5617 H 1 UNL1111111111 0.1478 109 H 2.3621 -1.5331 -1.5995 H 1 UNL1111111111 0.1534 110 H -0.9857 -3.0001 0.6616 H 1 UNL1111111111 0.1426 111 H -0.4891 -1.5343 -0.1893 H 1 UNL1111111111 0.1450 112 H -2.0509 -2.4661 -2.1819 H 1 UNL1111111111 0.1530 113 H -2.7071 -3.5387 -0.9552 H 1 UNL1111111111 0.1533 114 H -3.3312 -1.5781 0.5003 H 1 UNL1111111111 0.1406 115 H -7.3971 -0.6452 -1.7967 H 1 UNL1111111111 0.1551 116 H -6.2376 -1.4264 -2.8922 H 1 UNL1111111111 0.1529 117 H -7.9184 -3.0605 -1.8811 H 1 UNL1111111111 0.1342 118 H -6.2313 -3.4907 -1.5686 H 1 UNL1111111111 0.1483 119 H -7.4836 -3.7699 0.5178 H 1 UNL1111111111 0.1338 120 H -9.3367 -2.0645 -0.1278 H 1 UNL1111111111 0.1384 121 H -8.8123 -2.0030 1.5572 H 1 UNL1111111111 0.1372 122 H -8.2373 -0.7845 0.4114 H 1 UNL1111111111 0.1589 123 H -5.1416 -2.9171 0.6229 H 1 UNL1111111111 0.1490 124 H -6.8188 -1.2266 2.6119 H 1 UNL1111111111 0.1595 125 H -6.5379 -2.9717 2.8325 H 1 UNL1111111111 0.1572 126 H -4.2474 -0.9005 2.4629 H 1 UNL1111111111 0.1290 127 H -5.2150 -2.3661 5.0291 H 1 UNL1111111111 0.1555 128 H -3.8543 -1.2416 4.9236 H 1 UNL1111111111 0.1475 129 H -5.5030 -0.6482 4.7191 H 1 UNL1111111111 0.1580 130 H -3.1509 -2.9092 3.2635 H 1 UNL1111111111 0.3152 @BOND 1 1 57 1 2 1 58 1 3 1 59 1 4 2 46 1 5 2 1 1 6 2 60 1 7 3 2 1 8 3 61 1 9 4 44 1 10 4 3 1 11 4 62 1 12 5 4 1 13 5 63 1 14 5 64 1 15 5 65 1 16 6 3 1 17 7 8 2 18 7 6 1 19 9 7 1 20 9 66 1 21 10 9 2 22 10 67 1 23 11 10 1 24 11 12 1 25 11 68 1 26 12 69 1 27 12 70 1 28 12 71 1 29 13 11 1 30 13 72 1 31 14 13 1 32 14 73 1 33 15 13 1 34 15 74 1 35 16 15 1 36 16 75 1 37 16 76 1 38 16 77 1 39 17 15 1 40 18 17 2 41 19 17 1 42 19 21 1 43 19 78 1 44 20 19 1 45 20 79 1 46 20 80 1 47 20 81 1 48 21 22 1 49 21 82 1 50 22 83 1 51 23 21 1 52 23 24 1 53 23 84 1 54 24 85 1 55 24 86 1 56 24 87 1 57 25 23 1 58 25 26 2 59 27 30 1 60 27 25 1 61 28 27 1 62 28 88 1 63 28 89 1 64 28 90 1 65 29 27 1 66 29 91 1 67 30 31 1 68 30 92 1 69 31 93 1 70 32 34 1 71 32 30 1 72 32 94 1 73 33 32 1 74 33 95 1 75 33 96 1 76 33 97 1 77 34 35 1 78 34 98 1 79 34 99 1 80 35 36 2 81 35 100 1 82 36 37 1 83 36 101 1 84 37 38 2 85 37 102 1 86 38 39 1 87 38 103 1 88 39 40 1 89 39 42 1 90 39 104 1 91 40 105 1 92 40 106 1 93 41 40 1 94 41 107 1 95 41 108 1 96 41 109 1 97 42 110 1 98 42 111 1 99 43 42 1 100 43 44 1 101 43 112 1 102 43 113 1 103 44 45 1 104 44 114 1 105 45 46 1 106 46 48 1 107 46 47 1 108 47 52 1 109 48 49 1 110 48 115 1 111 48 116 1 112 49 50 1 113 49 117 1 114 49 118 1 115 50 51 1 116 50 119 1 117 51 120 1 118 51 121 1 119 51 122 1 120 52 53 1 121 52 50 1 122 52 123 1 123 53 124 1 124 53 125 1 125 54 55 1 126 54 53 1 127 54 126 1 128 55 127 1 129 55 128 1 130 55 129 1 131 56 54 1 132 56 130 1