@MOLECULE (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-N-(morpholinomethyl)-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide 72 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9085 0.6109 -1.6449 O.3 1 UNL111111111 -0.5000 2 O -1.4199 -3.8888 1.7371 O.3 1 UNL111111111 -0.5577 3 O -2.1276 -0.7539 -3.1409 O.2 1 UNL111111111 -0.4376 4 O -1.4083 1.7779 -2.2306 O.2 1 UNL111111111 -0.4658 5 O 0.8704 -1.0131 -2.3111 O.2 1 UNL111111111 -0.4232 6 O -0.9974 1.4838 2.4656 O.2 1 UNL111111111 -0.4427 7 O 3.0534 -1.3263 -1.2021 O.3 1 UNL111111111 -0.4490 8 O 0.0353 3.8563 0.7270 O.2 1 UNL111111111 -0.4846 9 O 5.5630 0.9631 0.7978 O.3 1 UNL111111111 -0.3921 10 N -3.9653 2.0177 1.0404 N.3 1 UNL111111111 -0.3750 11 N 1.0135 2.4713 -0.7972 N.am 1 UNL111111111 -0.6324 12 N 3.3049 2.2108 -0.3149 N.3 1 UNL111111111 -0.4741 13 C -3.0954 -0.2615 0.3795 C.3 1 UNL111111111 -0.1295 14 C -1.8293 -2.4180 -0.1263 C.3 1 UNL111111111 -0.0973 15 C -2.1893 -1.3763 0.9403 C.3 1 UNL111111111 -0.2946 16 C -2.7089 0.2358 -1.0343 C.3 1 UNL111111111 0.1700 17 C -3.0716 0.8959 1.4190 C.3 1 UNL111111111 -0.0799 18 C -0.9442 -3.5553 0.4457 C.3 1 UNL111111111 0.2922 19 C -1.1105 -1.6925 -1.2128 C.2 1 UNL111111111 -0.4245 20 C -1.9904 -0.8044 -1.9463 C.2 1 UNL111111111 0.4576 21 C -1.7164 1.3909 -0.9856 C.2 1 UNL111111111 0.3714 22 C 0.5018 -3.1406 0.6240 C.ar 1 UNL111111111 0.0735 23 C -1.6305 1.4487 1.4430 C.2 1 UNL111111111 0.5132 24 C 0.2380 -1.6952 -1.3408 C.2 1 UNL111111111 0.3918 25 C -1.1197 1.8570 0.1330 C.2 1 UNL111111111 -0.4617 26 C 1.1018 -2.3126 -0.3466 C.ar 1 UNL111111111 -0.2095 27 C -0.9885 -4.7929 -0.4559 C.3 1 UNL111111111 -0.5082 28 C 1.2333 -3.6141 1.7050 C.ar 1 UNL111111111 -0.2312 29 C -3.8190 3.1380 1.9989 C.3 1 UNL111111111 -0.2917 30 C -5.3769 1.5886 0.9643 C.3 1 UNL111111111 -0.2831 31 C 2.4728 -2.0445 -0.2206 C.ar 1 UNL111111111 0.3428 32 C -0.0010 2.8131 0.1186 C.2 1 UNL111111111 0.6180 33 C 2.5891 -3.2975 1.8277 C.ar 1 UNL111111111 -0.0320 34 C 3.2221 -2.5261 0.8631 C.ar 1 UNL111111111 -0.3291 35 C 2.2920 3.2025 -0.7386 C.3 1 UNL111111111 0.0814 36 C 3.4333 2.1113 1.1550 C.3 1 UNL111111111 -0.1553 37 C 4.6311 2.4206 -0.9282 C.3 1 UNL111111111 -0.1495 38 C 5.4743 1.1755 -0.5948 C.3 1 UNL111111111 -0.0318 39 C 4.3100 0.8844 1.4554 C.3 1 UNL111111111 -0.0461 40 H -4.1399 -0.6573 0.2972 H 1 UNL111111111 0.1697 41 H -2.7677 -2.8791 -0.5260 H 1 UNL111111111 0.1500 42 H -2.6897 -1.8621 1.8008 H 1 UNL111111111 0.1593 43 H -1.2480 -0.9629 1.3631 H 1 UNL111111111 0.1727 44 H -3.3202 0.4785 2.4287 H 1 UNL111111111 0.1456 45 H -0.5975 -4.5688 -1.4573 H 1 UNL111111111 0.1746 46 H -0.3782 -5.6025 -0.0379 H 1 UNL111111111 0.1645 47 H -2.0061 -5.1752 -0.5795 H 1 UNL111111111 0.1535 48 H -3.7495 0.8376 -2.5988 H 1 UNL111111111 0.3405 49 H -2.2741 -4.3634 1.6756 H 1 UNL111111111 0.3199 50 H 0.7435 -4.2280 2.4621 H 1 UNL111111111 0.1796 51 H -4.5024 3.9523 1.7093 H 1 UNL111111111 0.1478 52 H -2.7944 3.5507 1.9210 H 1 UNL111111111 0.1676 53 H -4.0095 2.8733 3.0484 H 1 UNL111111111 0.1238 54 H -6.0122 2.4678 0.7666 H 1 UNL111111111 0.1464 55 H -5.7533 1.0820 1.8632 H 1 UNL111111111 0.1134 56 H -5.4970 0.9212 0.0909 H 1 UNL111111111 0.1631 57 H -0.7218 2.5103 -2.2580 H 1 UNL111111111 0.3662 58 H 0.2346 -0.6569 -2.9920 H 1 UNL111111111 0.3418 59 H 3.1524 -3.6684 2.6860 H 1 UNL111111111 0.1527 60 H 4.2842 -2.3068 0.9349 H 1 UNL111111111 0.1722 61 H 1.1242 1.4891 -1.0617 H 1 UNL111111111 0.3239 62 H 3.8258 -0.7813 -0.8730 H 1 UNL111111111 0.3371 63 H 2.2077 4.0873 -0.0601 H 1 UNL111111111 0.1551 64 H 2.5214 3.5723 -1.7681 H 1 UNL111111111 0.1391 65 H 4.5198 2.5169 -2.0291 H 1 UNL111111111 0.1455 66 H 5.1390 3.3381 -0.5614 H 1 UNL111111111 0.1327 67 H 3.8698 3.0225 1.6142 H 1 UNL111111111 0.1339 68 H 2.4210 1.9735 1.6008 H 1 UNL111111111 0.1659 69 H 5.0587 0.2699 -1.0789 H 1 UNL111111111 0.1079 70 H 6.5336 1.3010 -0.8869 H 1 UNL111111111 0.1429 71 H 4.6048 0.8385 2.5198 H 1 UNL111111111 0.1466 72 H 3.8031 -0.0530 1.1691 H 1 UNL111111111 0.1216 @BOND 1 1 16 1 2 1 48 1 3 2 18 1 4 2 49 1 5 3 20 2 6 4 21 1 7 4 57 1 8 5 24 1 9 5 58 1 10 6 23 2 11 7 31 1 12 7 62 1 13 8 32 2 14 9 38 1 15 9 39 1 16 10 17 1 17 10 29 1 18 10 30 1 19 11 32 am 20 11 35 1 21 11 61 1 22 12 35 1 23 12 36 1 24 12 37 1 25 13 15 1 26 13 16 1 27 13 17 1 28 13 40 1 29 14 15 1 30 14 18 1 31 14 19 1 32 14 41 1 33 15 42 1 34 15 43 1 35 16 20 1 36 16 21 1 37 17 23 1 38 17 44 1 39 18 22 1 40 18 27 1 41 19 20 1 42 19 24 2 43 21 25 2 44 22 26 ar 45 22 28 ar 46 23 25 1 47 24 26 1 48 25 32 1 49 26 31 ar 50 27 45 1 51 27 46 1 52 27 47 1 53 28 33 ar 54 28 50 1 55 29 51 1 56 29 52 1 57 29 53 1 58 30 54 1 59 30 55 1 60 30 56 1 61 31 34 ar 62 33 34 ar 63 33 59 1 64 34 60 1 65 35 63 1 66 35 64 1 67 36 39 1 68 36 67 1 69 36 68 1 70 37 38 1 71 37 65 1 72 37 66 1 73 38 69 1 74 38 70 1 75 39 71 1 76 39 72 1