@MOLECULE (5s,10s,10ar,14as,15bs)-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)-1,10,10a,14,14a,15b-hexahydro-12h-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2h,13h)-dione 70 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1643 1.8058 1.3509 O.3 1 UNL1111 -0.5605 2 O -1.2719 3.2708 -0.7423 O.3 1 UNL1111 -0.5335 3 O 1.2860 -2.7548 -0.8538 O.3 1 UNL1111 -0.1617 4 O 1.3229 -2.4245 0.5462 O.3 1 UNL1111 -0.1829 5 O -2.9473 -2.0274 1.2920 O.2 1 UNL1111 -0.5220 6 O -3.9064 2.3770 -1.2905 O.2 1 UNL1111 -0.5487 7 O 5.2709 3.2202 0.2669 O.3 1 UNL1111 -0.3171 8 N -2.1310 -0.2053 0.2144 N.am 1 UNL1111 -0.5594 9 N -4.6966 0.9322 0.2727 N.am 1 UNL1111 -0.4626 10 N 1.6107 -0.1032 0.3449 N.ar 1 UNL1111 -0.3386 11 C -2.2580 1.2444 0.0740 C.3 1 UNL1111 0.3286 12 C -0.8256 -0.9039 0.0406 C.3 1 UNL1111 0.1217 13 C -4.4033 -0.1178 1.2579 C.3 1 UNL1111 0.0126 14 C -1.2098 1.8755 -0.9067 C.3 1 UNL1111 0.1461 15 C 0.2832 0.0911 -0.0359 C.ar 1 UNL1111 0.0657 16 C 0.1167 1.3988 -0.4773 C.ar 1 UNL1111 -0.1699 17 C -0.8884 -1.7265 -1.2672 C.3 1 UNL1111 -0.3432 18 C -3.1075 -0.8785 0.9412 C.2 1 UNL1111 0.5621 19 C -3.7009 1.5730 -0.4025 C.2 1 UNL1111 0.5382 20 C -5.6267 -1.0580 1.2593 C.3 1 UNL1111 -0.2812 21 C -6.0820 0.8590 -0.2136 C.3 1 UNL1111 -0.0562 22 C -6.5619 -0.5626 0.1403 C.3 1 UNL1111 -0.2912 23 C -0.0727 -3.0265 -1.1874 C.3 1 UNL1111 0.2414 24 C 1.3741 2.0634 -0.3762 C.ar 1 UNL1111 -0.0992 25 C 2.3008 1.0943 0.1291 C.ar 1 UNL1111 0.1638 26 C 2.2481 -1.3815 0.6990 C.3 1 UNL1111 0.2522 27 C 0.1055 -3.6273 -2.5928 C.3 1 UNL1111 -0.4775 28 C -0.6753 -4.0385 -0.2196 C.3 1 UNL1111 -0.4926 29 C 1.8045 3.3709 -0.6388 C.ar 1 UNL1111 -0.0326 30 C 3.6437 1.4145 0.3777 C.ar 1 UNL1111 -0.3759 31 C 3.4898 -1.6096 -0.1064 C.2 1 UNL1111 -0.3169 32 C 3.1215 3.6982 -0.4056 C.ar 1 UNL1111 -0.2856 33 C 4.0182 2.7166 0.0988 C.ar 1 UNL1111 0.2819 34 C 4.5246 -2.3363 0.3349 C.2 1 UNL1111 0.1251 35 C 5.7265 -2.5604 -0.5198 C.3 1 UNL1111 -0.4624 36 C 4.5608 -2.9701 1.6846 C.3 1 UNL1111 -0.4721 37 C 6.2614 2.3349 0.7697 C.3 1 UNL1111 -0.2013 38 H -0.6895 -1.5909 0.9287 H 1 UNL1111 0.1886 39 H -4.2597 0.3670 2.2657 H 1 UNL1111 0.1835 40 H -1.4454 1.6142 -1.9660 H 1 UNL1111 0.1559 41 H -1.9425 -1.9814 -1.4983 H 1 UNL1111 0.1684 42 H -0.5354 -1.1069 -2.1144 H 1 UNL1111 0.1631 43 H -6.1308 -1.0348 2.2405 H 1 UNL1111 0.1510 44 H -5.3275 -2.1120 1.1011 H 1 UNL1111 0.1734 45 H -6.1284 1.0717 -1.3031 H 1 UNL1111 0.1564 46 H -6.6864 1.6386 0.3005 H 1 UNL1111 0.1475 47 H -6.5034 -1.2266 -0.7393 H 1 UNL1111 0.1477 48 H -7.6148 -0.5650 0.4620 H 1 UNL1111 0.1471 49 H 2.4159 -1.3955 1.8154 H 1 UNL1111 0.1631 50 H -1.3348 2.3416 1.4501 H 1 UNL1111 0.3646 51 H -2.1584 3.5917 -1.0543 H 1 UNL1111 0.3463 52 H 0.6568 -2.9462 -3.2527 H 1 UNL1111 0.1596 53 H 0.6662 -4.5685 -2.5514 H 1 UNL1111 0.1589 54 H -0.8662 -3.8332 -3.0525 H 1 UNL1111 0.1589 55 H -1.0032 -3.5686 0.7208 H 1 UNL1111 0.1773 56 H -1.5591 -4.5275 -0.6423 H 1 UNL1111 0.1552 57 H 0.0524 -4.8149 0.0427 H 1 UNL1111 0.1573 58 H 1.0862 4.1029 -1.0152 H 1 UNL1111 0.1757 59 H 4.3281 0.6722 0.7614 H 1 UNL1111 0.1731 60 H 3.4744 -1.1729 -1.1047 H 1 UNL1111 0.1811 61 H 3.5005 4.6988 -0.5941 H 1 UNL1111 0.1712 62 H 5.6540 -2.0627 -1.4974 H 1 UNL1111 0.1611 63 H 6.6384 -2.1871 -0.0327 H 1 UNL1111 0.1577 64 H 5.8768 -3.6320 -0.7185 H 1 UNL1111 0.1606 65 H 5.4791 -3.5444 1.8619 H 1 UNL1111 0.1540 66 H 4.4944 -2.2213 2.4877 H 1 UNL1111 0.1616 67 H 3.7197 -3.6702 1.8160 H 1 UNL1111 0.1712 68 H 6.4272 1.5029 0.0784 H 1 UNL1111 0.1329 69 H 5.9954 1.9769 1.7692 H 1 UNL1111 0.1333 70 H 7.1483 2.9802 0.8157 H 1 UNL1111 0.1478 @BOND 1 1 11 1 2 1 50 1 3 2 14 1 4 2 51 1 5 3 4 1 6 3 23 1 7 4 26 1 8 5 18 2 9 6 19 2 10 7 33 1 11 7 37 1 12 8 11 1 13 8 12 1 14 8 18 am 15 9 13 1 16 9 19 am 17 9 21 1 18 10 15 ar 19 10 25 ar 20 10 26 1 21 11 14 1 22 11 19 1 23 12 15 1 24 12 17 1 25 12 38 1 26 13 18 1 27 13 20 1 28 13 39 1 29 14 16 1 30 14 40 1 31 15 16 ar 32 16 24 ar 33 17 23 1 34 17 41 1 35 17 42 1 36 20 22 1 37 20 43 1 38 20 44 1 39 21 22 1 40 21 45 1 41 21 46 1 42 22 47 1 43 22 48 1 44 23 27 1 45 23 28 1 46 24 25 ar 47 24 29 ar 48 25 30 ar 49 26 31 1 50 26 49 1 51 27 52 1 52 27 53 1 53 27 54 1 54 28 55 1 55 28 56 1 56 28 57 1 57 29 32 ar 58 29 58 1 59 30 33 ar 60 30 59 1 61 31 34 2 62 31 60 1 63 32 33 ar 64 32 61 1 65 34 35 1 66 34 36 1 67 35 62 1 68 35 63 1 69 35 64 1 70 36 65 1 71 36 66 1 72 36 67 1 73 37 68 1 74 37 69 1 75 37 70 1