@MOLECULE (7e,12e,16e,22e,24z,26z)-4,10,14,20,34-pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0~5,33~]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone 60 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.4267 4.2840 2.6823 O.2 1 UNL1 -0.5011 2 O 1.7087 2.1008 -2.5716 O.2 1 UNL1 -0.2799 3 O -6.3488 3.2527 0.6756 O.2 1 UNL1 -0.4561 4 O 5.1960 -3.7606 -1.1723 O.2 1 UNL1 -0.0921 5 O 4.2787 -1.2916 -3.3024 O.2 1 UNL1 -0.4582 6 O -4.3411 0.4237 -2.0779 O.2 1 UNL1 -0.4065 7 O -0.4621 0.1074 0.6729 O.2 1 UNL1 -0.4123 8 O 3.1833 -3.7601 0.8953 O.2 1 UNL1 -0.3386 9 O 1.6368 -2.6563 3.1283 O.2 1 UNL1 -0.2605 10 O -2.4657 -2.8001 -0.1371 O.2 1 UNL1 -0.4171 11 N -0.9750 -2.7279 1.5668 N.am 1 UNL1 -0.3737 12 C 4.1057 3.4272 1.8782 C.2 1 UNL1 0.5960 13 C 5.1291 2.4999 1.3685 C.2 1 UNL1 -0.7426 14 C 2.7200 3.3392 1.4126 C.2 1 UNL1 -0.6773 15 C 4.8057 1.1450 1.0068 C.2 1 UNL1 0.2945 16 C 6.4041 2.9156 1.2902 C.3 1 UNL1 0.6713 17 C 1.7351 3.9159 2.1098 C.2 1 UNL1 0.6067 18 C 2.4140 2.6814 0.1560 C.2 1 UNL1 -0.0445 19 C 5.6590 0.3106 0.4327 C.1 1 UNL1 -0.7629 20 C 1.1864 2.2644 -0.1858 C.2 1 UNL1 -0.2305 21 C 0.9414 1.4888 -1.4420 C.3 1 UNL1 0.1937 22 C 4.3769 -2.9657 -1.1696 C.1 1 UNL1 0.6256 23 C -0.4136 1.4185 -1.8374 C.3 1 UNL1 -0.1874 24 C 3.4291 -1.9949 -1.2300 C.2 1 UNL1 -0.4573 25 C -6.2341 2.1783 0.1201 C.2 1 UNL1 0.5087 26 C -7.3676 1.3020 -0.1995 C.2 1 UNL1 -0.6647 27 C 2.4062 -1.8616 -0.2687 C.2 1 UNL1 0.1135 28 C 6.4482 -0.5132 -0.1345 C.1 1 UNL1 0.3223 29 C -5.0078 1.6011 -0.2515 C.1 1 UNL1 -0.1185 30 C 1.4568 -0.8641 -0.3329 C.2 1 UNL1 -0.2576 31 C 3.5091 -1.0659 -2.4001 C.2 1 UNL1 0.5597 32 C -1.7034 1.3679 -1.9757 C.2 1 UNL1 0.0011 33 C -2.6394 1.5218 -0.8623 C.2 1 UNL1 -0.6267 34 C 2.6099 0.0575 -2.2884 C.2 1 UNL1 -0.3826 35 C -4.0177 1.1388 -1.1438 C.2 1 UNL1 0.4904 36 C 1.6386 0.1328 -1.3344 C.3 1 UNL1 0.1108 37 C -8.6380 1.6827 -0.1134 C.2 1 UNL1 0.5479 38 C 2.4107 -2.8386 0.8686 C.2 1 UNL1 0.3292 39 C 0.2991 -0.8167 0.5589 C.2 1 UNL1 0.4556 40 C -7.0047 -0.0595 -0.6306 C.2 1 UNL1 -0.0902 41 C 0.0941 -2.0774 1.3821 C.2 1 UNL1 0.0459 42 C 1.3916 -2.5694 1.9652 C.2 1 UNL1 0.3423 43 C -2.1782 1.9214 0.3278 C.3 1 UNL1 0.5694 44 C 2.5990 1.3338 -3.0766 C.2 1 UNL1 0.3301 45 C -6.7201 -1.0064 0.2706 C.2 1 UNL1 -0.1589 46 C -6.1492 -2.2921 -0.1062 C.2 1 UNL1 -0.1199 47 C -2.2716 -2.5135 1.0184 C.2 1 UNL1 0.5738 48 C -5.1547 -2.8620 0.5915 C.2 1 UNL1 -0.1710 49 C -3.2726 -2.0903 1.9988 C.2 1 UNL1 -0.3133 50 C -4.5872 -2.2585 1.7924 C.2 1 UNL1 -0.0074 51 H 3.7815 0.8195 1.2534 H 1 UNL1 0.1451 52 H 3.2638 2.5565 -0.5255 H 1 UNL1 0.1661 53 H 0.3112 2.4022 0.4482 H 1 UNL1 0.1757 54 H -2.1671 1.1731 -2.9572 H 1 UNL1 0.2065 55 H -6.8961 -0.2009 -1.7052 H 1 UNL1 0.1781 56 H -6.8535 -0.8326 1.3416 H 1 UNL1 0.1569 57 H -6.5297 -2.7501 -1.0228 H 1 UNL1 0.1682 58 H -4.6843 -3.7931 0.2567 H 1 UNL1 0.1852 59 H -2.8860 -1.6355 2.9179 H 1 UNL1 0.1825 60 H -5.3134 -1.9348 2.5475 H 1 UNL1 0.1565 @BOND 1 5 31 2 2 44 2 1 3 44 34 2 4 54 32 1 5 2 21 1 6 31 34 1 7 31 24 1 8 34 36 1 9 6 35 1 10 32 23 1 11 32 33 2 12 23 21 1 13 55 40 1 14 21 36 1 15 21 20 1 16 36 30 1 17 24 22 2 18 24 27 1 19 4 22 2 20 35 33 1 21 35 29 2 22 57 46 1 23 33 43 1 24 40 26 1 25 40 45 2 26 52 18 1 27 30 27 2 28 30 39 1 29 27 38 1 30 29 25 2 31 26 37 2 32 26 25 1 33 20 18 2 34 20 53 1 35 10 47 2 36 28 19 3 37 46 45 1 38 46 48 2 39 25 3 1 40 18 14 1 41 58 48 1 42 45 56 1 43 19 15 1 44 39 7 2 45 39 41 1 46 48 50 1 47 38 8 2 48 38 42 1 49 15 51 1 50 15 13 2 51 47 11 1 52 47 49 1 53 16 13 1 54 13 12 1 55 41 11 2 56 41 42 1 57 14 12 1 58 14 17 2 59 50 49 2 60 50 60 1 61 12 1 2 62 42 9 2 63 49 59 1