@MOLECULE (1s,3s)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-(1-aziridinyl)-2,3,6-trideoxy-4-o-(methylsulfonyl)-alpha-l-lyxo-hexopyranoside 73 78 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.9651 -1.9994 0.2568 S.O2 1 UNL1111111111 2.4074 2 O -2.7698 0.4491 -1.8086 O.3 1 UNL1111111111 -0.4412 3 O -0.7117 0.2880 -0.7779 O.3 1 UNL1111111111 -0.5133 4 O -4.8953 -0.9474 -0.4859 O.3 1 UNL1111111111 -0.7262 5 O -1.0457 2.2804 0.9891 O.3 1 UNL1111111111 -0.5945 6 O 1.6941 -0.8221 -2.3062 O.3 1 UNL1111111111 -0.4697 7 O 3.5823 2.4981 1.5613 O.3 1 UNL1111111111 -0.4639 8 O -6.2785 -1.4541 1.5553 O.2 1 UNL1111111111 -0.9171 9 O -5.5508 -3.3589 0.0577 O.2 1 UNL1111111111 -0.8675 10 O -0.3870 5.4056 -0.3778 O.2 1 UNL1111111111 -0.4659 11 O 3.8322 -2.2799 -2.0458 O.2 1 UNL1111111111 -0.5091 12 O 5.7061 0.9910 1.7515 O.2 1 UNL1111111111 -0.4980 13 N -3.2647 -1.9655 1.6140 N.3 1 UNL1111111111 -0.3582 14 C -2.7843 -0.9069 0.7208 C.3 1 UNL1111111111 -0.0279 15 C -4.0323 -0.1173 0.2403 C.3 1 UNL1111111111 0.1393 16 C -2.2670 -2.7111 2.4080 C.3 1 UNL1111111111 -0.2099 17 C -3.1969 -1.7229 3.0698 C.3 1 UNL1111111111 -0.2092 18 C -2.1129 -1.5300 -0.5103 C.3 1 UNL1111111111 -0.3465 19 C -3.5639 0.9746 -0.7522 C.3 1 UNL1111111111 0.1065 20 C -1.7278 -0.4127 -1.4763 C.3 1 UNL1111111111 0.3441 21 C 0.0804 1.2004 -1.5317 C.3 1 UNL1111111111 0.1744 22 C -0.4683 2.6188 -1.3444 C.3 1 UNL1111111111 -0.3886 23 C -0.2987 3.0838 0.1051 C.3 1 UNL1111111111 0.2277 24 C 1.4447 1.0339 -0.9171 C.ar 1 UNL1111111111 -0.1136 25 C -4.7335 1.6334 -1.4748 C.3 1 UNL1111111111 -0.4536 26 C 1.1712 3.0649 0.5487 C.3 1 UNL1111111111 -0.3280 27 C 1.9142 1.8741 0.0580 C.ar 1 UNL1111111111 0.0435 28 C 2.2321 -0.0864 -1.3256 C.ar 1 UNL1111111111 0.3517 29 C -0.8713 4.5049 0.2598 C.2 1 UNL1111111111 0.4642 30 C 3.2004 1.6027 0.6381 C.ar 1 UNL1111111111 0.2843 31 C 3.4603 -0.3698 -0.7390 C.ar 1 UNL1111111111 -0.2890 32 C 3.9543 0.4999 0.2700 C.ar 1 UNL1111111111 -0.2394 33 C -7.3148 -1.6715 -0.8512 C.3 1 UNL1111111111 -0.7470 34 C -2.0146 4.6868 1.1958 C.3 1 UNL1111111111 -0.5257 35 C 4.2229 -1.5469 -1.1479 C.2 1 UNL1111111111 0.5052 36 C 5.2422 0.2288 0.9171 C.2 1 UNL1111111111 0.4986 37 C 5.4880 -1.8548 -0.4446 C.ar 1 UNL1111111111 -0.1065 38 C 5.9775 -1.0009 0.5495 C.ar 1 UNL1111111111 -0.1089 39 C 6.1884 -3.0119 -0.7775 C.ar 1 UNL1111111111 -0.0954 40 C 7.1667 -1.3066 1.2078 C.ar 1 UNL1111111111 -0.0937 41 C 7.3784 -3.3179 -0.1144 C.ar 1 UNL1111111111 -0.1344 42 C 7.8664 -2.4679 0.8744 C.ar 1 UNL1111111111 -0.1360 43 H -2.0737 -0.1979 1.2220 H 1 UNL1111111111 0.1326 44 H -4.5799 0.3369 1.0996 H 1 UNL1111111111 0.1444 45 H -1.2035 -2.4978 2.3225 H 1 UNL1111111111 0.1463 46 H -2.4561 -3.7858 2.4828 H 1 UNL1111111111 0.1733 47 H -4.0752 -2.0678 3.6266 H 1 UNL1111111111 0.1817 48 H -2.8169 -0.7868 3.4724 H 1 UNL1111111111 0.1443 49 H -1.2260 -2.1258 -0.2266 H 1 UNL1111111111 0.1661 50 H -2.8167 -2.2357 -1.0079 H 1 UNL1111111111 0.1987 51 H -1.3666 -0.7535 -2.4717 H 1 UNL1111111111 0.1411 52 H -2.9440 1.7254 -0.2066 H 1 UNL1111111111 0.1352 53 H 0.0763 0.9158 -2.6115 H 1 UNL1111111111 0.1512 54 H 0.0486 3.3233 -2.0283 H 1 UNL1111111111 0.1800 55 H -1.5377 2.6411 -1.6393 H 1 UNL1111111111 0.1780 56 H -5.2843 0.8900 -2.0704 H 1 UNL1111111111 0.1710 57 H -4.3833 2.4048 -2.1704 H 1 UNL1111111111 0.1498 58 H -5.4334 2.0917 -0.7702 H 1 UNL1111111111 0.1491 59 H 1.2116 3.1083 1.6651 H 1 UNL1111111111 0.1941 60 H 1.6895 3.9948 0.2105 H 1 UNL1111111111 0.1923 61 H -1.0167 1.3411 0.6758 H 1 UNL1111111111 0.3578 62 H -6.9615 -1.2714 -1.8122 H 1 UNL1111111111 0.1908 63 H -7.8823 -2.5840 -1.0759 H 1 UNL1111111111 0.1882 64 H -8.0156 -0.9393 -0.4317 H 1 UNL1111111111 0.1860 65 H -2.3150 5.7394 1.2807 H 1 UNL1111111111 0.1696 66 H -1.7638 4.3157 2.2040 H 1 UNL1111111111 0.1907 67 H -2.8897 4.1039 0.8707 H 1 UNL1111111111 0.1817 68 H 2.2974 -1.6127 -2.5409 H 1 UNL1111111111 0.3839 69 H 4.4951 2.2551 1.9431 H 1 UNL1111111111 0.3796 70 H 5.8000 -3.6751 -1.5562 H 1 UNL1111111111 0.1786 71 H 7.5452 -0.6344 1.9835 H 1 UNL1111111111 0.1784 72 H 7.9238 -4.2252 -0.3735 H 1 UNL1111111111 0.1580 73 H 8.7962 -2.7065 1.3906 H 1 UNL1111111111 0.1582 @BOND 1 1 4 1 2 1 8 2 3 1 9 2 4 1 33 1 5 2 19 1 6 2 20 1 7 3 20 1 8 3 21 1 9 4 15 1 10 5 23 1 11 5 61 1 12 6 28 1 13 6 68 1 14 7 30 1 15 7 69 1 16 10 29 2 17 11 35 2 18 12 36 2 19 13 14 1 20 13 16 1 21 13 17 1 22 14 15 1 23 14 18 1 24 14 43 1 25 15 19 1 26 15 44 1 27 16 17 1 28 16 45 1 29 16 46 1 30 17 47 1 31 17 48 1 32 18 20 1 33 18 49 1 34 18 50 1 35 19 25 1 36 19 52 1 37 20 51 1 38 21 22 1 39 21 24 1 40 21 53 1 41 22 23 1 42 22 54 1 43 22 55 1 44 23 26 1 45 23 29 1 46 24 27 ar 47 24 28 ar 48 25 56 1 49 25 57 1 50 25 58 1 51 26 27 1 52 26 59 1 53 26 60 1 54 27 30 ar 55 28 31 ar 56 29 34 1 57 30 32 ar 58 31 32 ar 59 31 35 1 60 32 36 1 61 33 62 1 62 33 63 1 63 33 64 1 64 34 65 1 65 34 66 1 66 34 67 1 67 35 37 1 68 36 38 1 69 37 38 ar 70 37 39 ar 71 38 40 ar 72 39 41 ar 73 39 70 1 74 40 42 ar 75 40 71 1 76 41 42 ar 77 41 72 1 78 42 73 1