@MOLECULE (1's,2s,2'r,3s,7'r,10'r,12's)-3,12'-dihydroxy-5',7',11',11'-tetramethyl-6-(3-pyridinyl)-3h,4h-spiro[furo[3,2-c]pyran-2,6'-[13]oxatetracyclo[10.2.2.0~1,10~.0~2,7~]hexadec[4]en]-4-one 72 78 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.2970 0.1502 -0.6045 C.3 1 UNL1 -0.0130 2 C 2.0157 -0.6482 -0.9342 C.3 1 UNL1 -0.1440 3 C 1.2443 -1.2637 0.2726 C.3 1 UNL1 0.0711 4 C 3.0654 1.1290 0.5798 C.3 1 UNL1 -0.1360 5 C -0.1425 -1.7055 -0.2788 C.3 1 UNL1 0.1562 6 C 5.4259 1.4516 -0.1578 C.3 1 UNL1 0.4926 7 C -1.1581 -2.3784 0.7394 C.3 1 UNL1 0.1927 8 C -5.3818 2.2490 -1.2673 C.ar 1 UNL1 0.0976 9 C -6.4050 1.3856 0.7390 C.ar 1 UNL1 -0.0121 10 C -7.4638 2.2633 0.5279 C.ar 1 UNL1 -0.2603 11 C -7.4240 3.1063 -0.5906 C.ar 1 UNL1 0.0878 12 C 1.9299 -2.5009 0.8582 C.3 1 UNL1 -0.4651 13 C 4.2057 3.3605 0.9608 C.3 1 UNL1 -0.4573 14 C 4.9939 1.4150 2.2968 C.3 1 UNL1 -0.4518 15 C -1.2878 -3.2074 -2.0185 C.3 1 UNL1 -0.4527 16 H 7.2957 1.4621 0.4773 H 1 UNL1 0.3413 17 H -0.8550 -1.5919 2.5359 H 1 UNL1 0.3226 18 C -5.3364 1.3744 -0.1659 C.ar 1 UNL1 -0.1991 19 O -4.1936 -2.4578 1.8306 O.2 1 UNL1 -0.3953 20 C 1.0666 -0.1768 1.3492 C.3 1 UNL1 -0.2928 21 C 2.4124 0.4198 1.7665 C.3 1 UNL1 -0.2720 22 C 2.2851 -1.7477 -1.9772 C.3 1 UNL1 -0.2942 23 O 6.6573 2.0789 0.0582 O.3 1 UNL1 -0.5702 24 O -0.6842 -2.4302 2.0525 O.3 1 UNL1 -0.5411 25 C -0.0656 -2.4792 -1.5676 C.2 1 UNL1 -0.0595 26 C -3.6387 -1.6571 1.1436 C.ar 1 UNL1 0.6522 27 C -4.2120 0.4605 0.0238 C.ar 1 UNL1 0.4154 28 O -0.7965 -0.4334 -0.6976 O.3 1 UNL1 -0.3131 29 O -4.5545 -0.5704 0.7883 O.2 1 UNL1 -0.4213 30 C 1.0364 -2.4781 -2.3290 C.2 1 UNL1 -0.1395 31 C -2.9564 0.6149 -0.5079 C.ar 1 UNL1 -0.4721 32 C 4.5196 -0.7323 -0.2984 C.3 1 UNL1 -0.0180 33 C 3.6626 1.0197 -1.8435 C.3 1 UNL1 -0.2839 34 C 4.9699 1.7781 -1.5842 C.3 1 UNL1 -0.3401 35 C -2.3547 -1.4984 0.5935 C.ar 1 UNL1 -0.5451 36 C -2.0390 -0.4169 -0.2115 C.ar 1 UNL1 0.4353 37 N -6.4032 3.0971 -1.4702 N.ar 1 UNL1 -0.3795 38 C 4.4030 1.8414 0.9495 C.3 1 UNL1 0.0131 39 O 5.6794 0.0537 -0.0627 O.3 1 UNL1 -0.4970 40 H 1.3103 0.0947 -1.4020 H 1 UNL1 0.1581 41 H 2.3460 1.9106 0.2254 H 1 UNL1 0.1453 42 H 0.4026 0.6266 0.9755 H 1 UNL1 0.1477 43 H 0.5733 -0.5936 2.2471 H 1 UNL1 0.1424 44 H 3.0696 -0.3735 2.1691 H 1 UNL1 0.1488 45 H 2.2591 1.1374 2.5959 H 1 UNL1 0.1405 46 H 4.3918 -1.3345 0.6188 H 1 UNL1 0.1321 47 H 4.7971 -1.3854 -1.1440 H 1 UNL1 0.1288 48 H 3.7666 0.3850 -2.7409 H 1 UNL1 0.1412 49 H 2.8425 1.7247 -2.0664 H 1 UNL1 0.1412 50 H -1.3215 -3.4554 0.5149 H 1 UNL1 0.1656 51 H 2.7356 -1.3039 -2.8895 H 1 UNL1 0.1512 52 H 3.0379 -2.4730 -1.5985 H 1 UNL1 0.1611 53 H 4.8538 2.8669 -1.7139 H 1 UNL1 0.1577 54 H 5.7616 1.4746 -2.2947 H 1 UNL1 0.1634 55 H 2.9776 -2.3061 1.1088 H 1 UNL1 0.1488 56 H 1.4380 -2.8317 1.7855 H 1 UNL1 0.1779 57 H 1.9032 -3.3510 0.1680 H 1 UNL1 0.1503 58 H 1.0796 -3.0323 -3.2665 H 1 UNL1 0.1477 59 H 3.5555 3.6694 1.7857 H 1 UNL1 0.1451 60 H 5.1690 3.8755 1.0836 H 1 UNL1 0.1633 61 H 3.7614 3.7273 0.0298 H 1 UNL1 0.1432 62 H 5.1966 0.3375 2.3257 H 1 UNL1 0.1548 63 H 5.9478 1.9279 2.4792 H 1 UNL1 0.1529 64 H 4.3324 1.6638 3.1319 H 1 UNL1 0.1439 65 H -2.2080 -2.6389 -1.8159 H 1 UNL1 0.1658 66 H -1.2797 -3.4044 -3.0998 H 1 UNL1 0.1554 67 H -1.3855 -4.1845 -1.5217 H 1 UNL1 0.1618 68 H -2.6633 1.4595 -1.1170 H 1 UNL1 0.2010 69 H -4.5838 2.2746 -2.0219 H 1 UNL1 0.1801 70 H -6.4039 0.7075 1.5991 H 1 UNL1 0.1834 71 H -8.3070 2.2953 1.2133 H 1 UNL1 0.1744 72 H -8.2294 3.8194 -0.8072 H 1 UNL1 0.1735 @BOND 1 58 30 1 2 66 15 1 3 51 22 1 4 48 33 1 5 30 22 1 6 30 25 2 7 54 34 1 8 49 33 1 9 69 8 1 10 15 65 1 11 15 25 1 12 15 67 1 13 22 52 1 14 22 2 1 15 33 34 1 16 33 1 1 17 53 34 1 18 34 6 1 19 25 5 1 20 37 8 ar 21 37 11 ar 22 40 2 1 23 8 18 ar 24 47 32 1 25 68 31 1 26 2 1 1 27 2 3 1 28 72 11 1 29 28 5 1 30 28 36 1 31 1 32 1 32 1 4 1 33 11 10 ar 34 31 36 ar 35 31 27 ar 36 32 39 1 37 32 46 1 38 5 3 1 39 5 7 1 40 36 35 ar 41 18 27 1 42 18 9 ar 43 6 39 1 44 6 23 1 45 6 38 1 46 27 29 ar 47 61 13 1 48 23 16 1 49 57 12 1 50 41 4 1 51 3 12 1 52 3 20 1 53 50 7 1 54 10 9 ar 55 10 71 1 56 4 38 1 57 4 21 1 58 35 7 1 59 35 26 ar 60 9 70 1 61 7 24 1 62 29 26 ar 63 12 55 1 64 12 56 1 65 38 13 1 66 38 14 1 67 13 60 1 68 13 59 1 69 42 20 1 70 26 19 2 71 20 21 1 72 20 43 1 73 21 44 1 74 21 45 1 75 24 17 1 76 14 62 1 77 14 63 1 78 14 64 1