@MOLECULE (1s,4ar,11s,11as,12as)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydro-2,5(1h,4ah)-tetracenedione 57 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.3137 -0.6709 1.1912 C.3 1 UNL1 -0.1382 2 C -1.1222 -0.9623 0.5550 C.3 1 UNL1 -0.0645 3 C 1.2954 0.8350 0.8846 C.3 1 UNL1 0.1626 4 C 2.7087 -1.3063 0.9730 C.3 1 UNL1 -0.0833 5 C -2.0988 -1.6641 -0.4369 C.3 1 UNL1 0.2925 6 C -4.6279 -1.9449 -0.4169 C.ar 1 UNL1 -0.2648 7 C -5.9244 -1.4158 -0.3107 C.ar 1 UNL1 -0.0371 8 C -6.1176 -0.0707 -0.0720 C.ar 1 UNL1 -0.2716 9 C -2.0174 -3.1873 -0.3238 C.3 1 UNL1 -0.5068 10 C 3.4533 -0.7465 3.2429 C.3 1 UNL1 -0.2842 11 C 5.0732 -1.3510 1.5490 C.3 1 UNL1 -0.2881 12 C 4.4944 -0.2250 -2.9792 C.3 1 UNL1 -0.5236 13 H 1.7557 2.4721 1.8923 H 1 UNL1 0.3438 14 H -2.2236 -1.6171 -2.4221 H 1 UNL1 0.3166 15 H 2.7637 2.6815 -1.4319 H 1 UNL1 0.4130 16 H -1.7928 2.8974 0.2265 H 1 UNL1 0.4189 17 H -4.4545 2.6164 0.3328 H 1 UNL1 0.3646 18 C -4.9885 0.7604 0.0649 C.ar 1 UNL1 0.3672 19 O -0.2374 2.6085 0.6379 O.2 1 UNL1 -0.5296 20 O 3.4908 -2.0057 -1.1632 O.2 1 UNL1 -0.4986 21 O 3.6858 1.9278 -2.4752 O.2 1 UNL1 -0.5738 22 C 0.3197 -1.3971 0.2723 C.3 1 UNL1 -0.2984 23 O 1.7533 1.4884 2.0412 O.3 1 UNL1 -0.4965 24 O -1.6434 -1.2685 -1.7165 O.3 1 UNL1 -0.5346 25 O 2.1380 2.4635 -0.5877 O.2 1 UNL1 -0.4416 26 O -2.6822 2.3713 0.0546 O.2 1 UNL1 -0.5443 27 O -5.2799 2.0502 0.2991 O.3 1 UNL1 -0.4526 28 C 3.7102 0.7354 -2.1585 C.2 1 UNL1 0.5915 29 C -0.1252 1.3848 0.6257 C.2 1 UNL1 0.4840 30 C 2.1999 1.1903 -0.2903 C.2 1 UNL1 0.4474 31 C 3.1018 -1.0722 -0.5019 C.2 1 UNL1 0.5260 32 C -2.4883 1.0536 0.1600 C.2 1 UNL1 0.4682 33 C 2.9735 0.2904 -0.9880 C.2 1 UNL1 -0.5457 34 C -3.5187 -1.1300 -0.2709 C.ar 1 UNL1 0.0373 35 C -3.6846 0.2492 -0.0201 C.ar 1 UNL1 -0.2793 36 N 3.7732 -0.6851 1.8013 N.3 1 UNL1 -0.3695 37 C -1.2550 0.5218 0.4390 C.2 1 UNL1 -0.4009 38 H 1.0090 -0.8051 2.2596 H 1 UNL1 0.1730 39 H -1.4106 -1.2757 1.5923 H 1 UNL1 0.1495 40 H 0.5563 -1.2066 -0.7992 H 1 UNL1 0.1835 41 H 0.4228 -2.4913 0.4046 H 1 UNL1 0.1513 42 H 2.6309 -2.4100 1.1554 H 1 UNL1 0.1422 43 H -1.0006 -3.5426 -0.5454 H 1 UNL1 0.1725 44 H -2.2868 -3.5358 0.6782 H 1 UNL1 0.1589 45 H -2.6714 -3.6904 -1.0445 H 1 UNL1 0.1510 46 H -4.5215 -3.0096 -0.6114 H 1 UNL1 0.1628 47 H 3.2233 -1.7521 3.6194 H 1 UNL1 0.1122 48 H 4.3033 -0.3424 3.8177 H 1 UNL1 0.1473 49 H 2.6000 -0.0747 3.4505 H 1 UNL1 0.1685 50 H 5.3585 -1.2169 0.4915 H 1 UNL1 0.1534 51 H 5.8498 -0.8521 2.1519 H 1 UNL1 0.1492 52 H 5.0886 -2.4262 1.7757 H 1 UNL1 0.1220 53 H -6.7826 -2.0812 -0.4220 H 1 UNL1 0.1540 54 H -7.1108 0.3667 0.0096 H 1 UNL1 0.1839 55 H 5.2577 -0.7450 -2.3786 H 1 UNL1 0.1869 56 H 3.8478 -1.0242 -3.3834 H 1 UNL1 0.1969 57 H 4.9990 0.2682 -3.8218 H 1 UNL1 0.1752 @BOND 1 57 12 1 2 56 12 1 3 12 55 1 4 12 28 1 5 21 28 2 6 14 24 1 7 28 33 1 8 24 5 1 9 15 25 1 10 20 31 2 11 45 9 1 12 33 31 1 13 33 30 2 14 40 22 1 15 46 6 1 16 25 30 1 17 43 9 1 18 31 4 1 19 5 9 1 20 5 34 1 21 5 2 1 22 53 7 1 23 6 7 ar 24 6 34 ar 25 9 44 1 26 7 8 ar 27 30 3 1 28 34 35 ar 29 8 54 1 30 8 18 ar 31 35 18 ar 32 35 32 1 33 26 32 1 34 26 16 1 35 18 27 1 36 32 37 2 37 22 41 1 38 22 2 1 39 22 1 1 40 27 17 1 41 37 2 1 42 37 29 1 43 50 11 1 44 2 39 1 45 29 19 2 46 29 3 1 47 3 1 1 48 3 23 1 49 4 42 1 50 4 1 1 51 4 36 1 52 1 38 1 53 11 52 1 54 11 36 1 55 11 51 1 56 36 10 1 57 13 23 1 58 10 49 1 59 10 47 1 60 10 48 1