@MOLECULE 3-hydroxy-13-{[(2z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1h-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,15,16,17(2h,13h)-tetrone 75 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.3149 -0.7705 0.1137 O.2 1 UNL1 -0.2201 2 O 1.4113 -4.4628 0.8453 O.3 1 UNL1 -0.4152 3 O 3.2853 -3.1403 0.2703 O.2 1 UNL1 -0.3458 4 O 5.0083 3.3840 0.9833 O.3 1 UNL1 -0.3500 5 O 6.9846 -0.6385 -0.5610 O.3 1 UNL1 -0.3756 6 O 7.5520 2.1497 1.3230 O.3 1 UNL1 -0.5248 7 O 2.2625 2.5642 -1.0277 O.2 1 UNL1 -0.4000 8 O 0.2137 0.7488 -1.6765 O.2 1 UNL1 -0.3049 9 O -1.6046 0.9955 0.3505 O.2 1 UNL1 -0.3563 10 O -3.9905 1.8499 -0.9224 O.2 1 UNL1 -0.4502 11 O -6.3408 1.0518 1.9631 O.2 1 UNL1 -0.4726 12 N -5.6808 0.3683 -0.7416 N.ar 1 UNL1 -0.3427 13 N -6.5884 1.3891 -1.1117 N.pl3 1 UNL1 -0.2989 14 C 0.4897 -3.6786 0.0783 C.3 1 UNL1 0.1460 15 C 1.0768 -2.3218 -0.1407 C.2 1 UNL1 -0.2086 16 C 5.0249 2.8874 -0.3470 C.3 1 UNL1 0.1438 17 C 6.3880 0.2911 0.3260 C.3 1 UNL1 0.0226 18 C 7.2189 1.5847 0.0715 C.3 1 UNL1 0.1493 19 C 4.2906 1.5787 -0.3451 C.ar 1 UNL1 -0.2863 20 C 6.5082 2.6957 -0.7027 C.3 1 UNL1 -0.3397 21 C 0.1936 -1.1926 -0.3349 C.2 1 UNL1 -0.0396 22 C 4.9333 0.4534 -0.0009 C.ar 1 UNL1 0.2121 23 C -0.7734 -3.5997 0.9472 C.3 1 UNL1 -0.3221 24 C 2.4141 -2.1544 -0.0225 C.2 1 UNL1 0.2005 25 C 2.9940 -0.8193 -0.1758 C.ar 1 UNL1 0.2454 26 C 2.2447 0.2383 -0.5726 C.ar 1 UNL1 -0.3553 27 C -1.1052 -1.2778 0.0151 C.2 1 UNL1 -0.0995 28 C -1.7012 -2.5475 0.4278 C.2 1 UNL1 0.0831 29 C 2.8574 1.5727 -0.6873 C.ar 1 UNL1 0.5002 30 C 0.8198 0.0453 -0.9165 C.2 1 UNL1 0.4631 31 C -2.0157 -0.0893 0.0311 C.2 1 UNL1 0.4930 32 C -3.0334 -2.7410 0.3373 C.2 1 UNL1 -0.2381 33 C 2.7023 -4.4553 0.3257 C.3 1 UNL1 0.1767 34 C -3.4213 -0.3883 -0.2621 C.ar 1 UNL1 -0.4243 35 C -3.9195 -1.6723 -0.1079 C.ar 1 UNL1 0.2454 36 C -5.2828 -1.9368 -0.3372 C.ar 1 UNL1 -0.4358 37 C -4.2528 0.7017 -0.6657 C.ar 1 UNL1 0.5798 38 C 4.1458 4.4927 1.1667 C.3 1 UNL1 -0.2132 39 C -6.1616 -0.9129 -0.6645 C.ar 1 UNL1 0.3643 40 C 6.7953 -2.0008 -0.2251 C.3 1 UNL1 -0.1993 41 C -7.6103 -1.1742 -0.8796 C.3 1 UNL1 -0.4752 42 C -7.3781 1.9403 -0.0348 C.2 1 UNL1 -0.0951 43 C -8.4576 2.8038 -0.6155 C.3 1 UNL1 -0.4111 44 C -7.2884 1.7643 1.3002 C.2 1 UNL1 0.2271 45 C -8.2541 2.3048 2.2957 C.3 1 UNL1 -0.4465 46 H 8.1936 1.5893 1.8017 H 1 UNL1 0.3029 47 H -5.5558 0.8496 1.4054 H 1 UNL1 0.3309 48 H -6.0304 2.1501 -1.5661 H 1 UNL1 0.3059 49 H 0.2965 -4.2114 -0.8815 H 1 UNL1 0.1404 50 H 4.5485 3.6053 -1.0584 H 1 UNL1 0.1503 51 H 6.5043 -0.0334 1.3890 H 1 UNL1 0.1577 52 H 8.1647 1.2983 -0.4543 H 1 UNL1 0.1338 53 H 7.0390 3.6523 -0.4898 H 1 UNL1 0.1818 54 H 6.6032 2.5085 -1.7890 H 1 UNL1 0.1565 55 H -0.4828 -3.3502 1.9970 H 1 UNL1 0.1909 56 H -1.2526 -4.5959 1.0138 H 1 UNL1 0.1633 57 H -3.4984 -3.6878 0.6043 H 1 UNL1 0.1665 58 H 2.7463 -4.8677 -0.6962 H 1 UNL1 0.1245 59 H 3.3183 -4.9822 1.0778 H 1 UNL1 0.1588 60 H -5.6588 -2.9503 -0.2452 H 1 UNL1 0.1815 61 H 4.1388 4.6171 2.2573 H 1 UNL1 0.1435 62 H 3.1344 4.2847 0.8008 H 1 UNL1 0.1454 63 H 4.5645 5.3813 0.6861 H 1 UNL1 0.1169 64 H 7.4204 -2.5152 -0.9672 H 1 UNL1 0.1455 65 H 5.7486 -2.3030 -0.3511 H 1 UNL1 0.1434 66 H 7.1433 -2.2178 0.7878 H 1 UNL1 0.1235 67 H -7.9901 -0.6523 -1.7782 H 1 UNL1 0.1945 68 H -8.2122 -0.7929 -0.0357 H 1 UNL1 0.1854 69 H -7.8339 -2.2424 -0.9944 H 1 UNL1 0.1672 70 H -8.5349 2.6998 -1.7096 H 1 UNL1 0.1648 71 H -8.2723 3.8667 -0.4011 H 1 UNL1 0.1578 72 H -9.4465 2.5466 -0.2118 H 1 UNL1 0.1528 73 H -7.9599 2.0316 3.3249 H 1 UNL1 0.1804 74 H -9.2690 1.9167 2.1347 H 1 UNL1 0.1589 75 H -8.2990 3.4038 2.2562 H 1 UNL1 0.1685 @BOND 1 54 20 1 2 67 41 1 3 70 43 1 4 8 30 2 5 48 13 1 6 13 12 1 7 13 42 1 8 50 16 1 9 7 29 2 10 69 41 1 11 64 40 1 12 10 37 2 13 30 26 1 14 30 21 1 15 49 14 1 16 41 39 1 17 41 68 1 18 12 37 ar 19 12 39 ar 20 20 53 1 21 20 16 1 22 20 18 1 23 58 33 1 24 29 26 ar 25 29 19 ar 26 37 34 ar 27 39 36 ar 28 43 71 1 29 43 72 1 30 43 42 1 31 26 25 ar 32 5 40 1 33 5 17 1 34 52 18 1 35 65 40 1 36 16 19 1 37 16 4 1 38 19 22 ar 39 36 60 1 40 36 35 ar 41 21 15 1 42 21 27 2 43 34 35 ar 44 34 31 1 45 40 66 1 46 25 24 1 47 25 1 ar 48 15 24 2 49 15 14 1 50 35 32 1 51 42 44 2 52 24 3 1 53 22 1 ar 54 22 17 1 55 27 31 1 56 27 28 1 57 31 9 2 58 18 17 1 59 18 6 1 60 14 2 1 61 14 23 1 62 3 33 1 63 33 2 1 64 33 59 1 65 17 51 1 66 32 28 2 67 32 57 1 68 28 23 1 69 63 38 1 70 62 38 1 71 23 56 1 72 23 55 1 73 4 38 1 74 38 61 1 75 44 11 1 76 44 45 1 77 6 46 1 78 47 11 1 79 74 45 1 80 75 45 1 81 45 73 1