@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 -5.3106 -2.5987 0.9277 S.O2 1 UNL1111111111 2.3916 2 O -1.9127 -0.5103 -1.3380 O.3 1 UNL1111111111 -0.4161 3 O -0.7634 1.0896 -0.2415 O.3 1 UNL1111111111 -0.4183 4 O -4.0689 -1.8295 0.1094 O.3 1 UNL1111111111 -0.7044 5 O -0.1637 3.3448 1.1235 O.3 1 UNL1111111111 -0.5756 6 O 1.0185 -0.9908 -1.4513 O.3 1 UNL1111111111 -0.4319 7 O 4.4466 2.4601 0.9625 O.3 1 UNL1111111111 -0.4665 8 O -6.4130 -2.6649 -0.0077 O.2 1 UNL1111111111 -0.9364 9 O -5.4957 -2.0958 2.2566 O.2 1 UNL1111111111 -0.8543 10 O 0.6136 5.8284 -1.1365 O.2 1 UNL1111111111 -0.4699 11 O 2.7363 -2.9087 -1.0877 O.2 1 UNL1111111111 -0.5106 12 O 6.1665 0.4935 1.2160 O.2 1 UNL1111111111 -0.4992 13 N -5.4333 0.5283 0.7181 N.3 1 UNL1111111111 -0.3393 14 C -4.4017 0.5271 -0.3243 C.3 1 UNL1111111111 -0.0295 15 C -4.3250 -0.9109 -0.9151 C.3 1 UNL1111111111 0.1272 16 C -5.9891 1.8301 1.1371 C.3 1 UNL1111111111 -0.2145 17 C -6.8180 0.8650 0.3239 C.3 1 UNL1111111111 -0.2174 18 C -3.0410 0.8551 0.3129 C.3 1 UNL1111111111 -0.3509 19 C -3.1219 -0.9968 -1.8979 C.3 1 UNL1111111111 0.1099 20 C -2.0181 0.8072 -0.8165 C.3 1 UNL1111111111 0.3103 21 C 0.2023 1.5569 -1.1912 C.3 1 UNL1111111111 0.1378 22 C 0.0619 3.0825 -1.2759 C.3 1 UNL1111111111 -0.3850 23 C 0.5831 3.7457 0.0030 C.3 1 UNL1111111111 0.2233 24 C 1.5344 1.1289 -0.6497 C.ar 1 UNL1111111111 -0.1134 25 C -2.7961 -2.4410 -2.2624 C.3 1 UNL1111111111 -0.4476 26 C 2.0660 3.4240 0.2398 C.3 1 UNL1111111111 -0.3286 27 C 2.3892 1.9955 -0.0204 C.ar 1 UNL1111111111 0.0472 28 C 1.9189 -0.2392 -0.8192 C.ar 1 UNL1111111111 0.3502 29 C 0.3989 5.2726 -0.0887 C.2 1 UNL1111111111 0.4660 30 C 3.6739 1.5132 0.4046 C.ar 1 UNL1111111111 0.2785 31 C 3.1514 -0.7127 -0.3781 C.ar 1 UNL1111111111 -0.2957 32 C 4.0557 0.1924 0.2399 C.ar 1 UNL1111111111 -0.2278 33 C -4.5001 -4.1693 1.0469 C.3 1 UNL1111111111 -0.7457 34 C -0.0407 5.9845 1.1413 C.3 1 UNL1111111111 -0.5327 35 C 3.5025 -2.1179 -0.5569 C.2 1 UNL1111111111 0.5082 36 C 5.3707 -0.2726 0.6964 C.2 1 UNL1111111111 0.4987 37 C 4.8250 -2.5866 -0.0845 C.ar 1 UNL1111111111 -0.1038 38 C 5.7233 -1.6990 0.5163 C.ar 1 UNL1111111111 -0.1095 39 C 5.1655 -3.9278 -0.2484 C.ar 1 UNL1111111111 -0.0982 40 C 6.9653 -2.1588 0.9517 C.ar 1 UNL1111111111 -0.0942 41 C 6.4108 -4.3840 0.1873 C.ar 1 UNL1111111111 -0.1353 42 C 7.3066 -3.5028 0.7857 C.ar 1 UNL1111111111 -0.1381 43 H -4.6139 1.2466 -1.1564 H 1 UNL1111111111 0.1158 44 H -5.2699 -1.1718 -1.4503 H 1 UNL1111111111 0.1449 45 H -6.1558 1.9272 2.2155 H 1 UNL1111111111 0.1748 46 H -5.6407 2.7635 0.7016 H 1 UNL1111111111 0.1424 47 H -7.0786 1.0800 -0.7049 H 1 UNL1111111111 0.1423 48 H -7.5865 0.2498 0.8065 H 1 UNL1111111111 0.1831 49 H -2.7916 0.0955 1.0923 H 1 UNL1111111111 0.2081 50 H -3.0436 1.8266 0.8310 H 1 UNL1111111111 0.1588 51 H -2.2401 1.5053 -1.6539 H 1 UNL1111111111 0.0949 52 H -3.3509 -0.3897 -2.8039 H 1 UNL1111111111 0.1073 53 H 0.0174 1.0770 -2.1846 H 1 UNL1111111111 0.1584 54 H -0.9976 3.3594 -1.4371 H 1 UNL1111111111 0.1646 55 H 0.6079 3.4797 -2.1549 H 1 UNL1111111111 0.1817 56 H -3.6718 -2.9678 -2.6527 H 1 UNL1111111111 0.1497 57 H -1.9970 -2.4875 -3.0120 H 1 UNL1111111111 0.1521 58 H -2.4321 -2.9831 -1.3761 H 1 UNL1111111111 0.1730 59 H 2.7131 4.0762 -0.3916 H 1 UNL1111111111 0.1850 60 H 2.3313 3.6854 1.2935 H 1 UNL1111111111 0.1939 61 H -0.4758 2.4135 1.0085 H 1 UNL1111111111 0.3599 62 H -3.4826 -4.1344 0.6286 H 1 UNL1111111111 0.1967 63 H -4.3993 -4.4877 2.0947 H 1 UNL1111111111 0.1934 64 H -5.0451 -4.9548 0.5099 H 1 UNL1111111111 0.1868 65 H -1.0422 5.6395 1.4523 H 1 UNL1111111111 0.1923 66 H -0.0811 7.0727 0.9992 H 1 UNL1111111111 0.1721 67 H 0.6238 5.7681 1.9918 H 1 UNL1111111111 0.1845 68 H 1.3166 -1.9682 -1.4918 H 1 UNL1111111111 0.3774 69 H 5.3396 2.0707 1.2487 H 1 UNL1111111111 0.3778 70 H 4.4548 -4.6139 -0.7185 H 1 UNL1111111111 0.1780 71 H 7.6656 -1.4628 1.4229 H 1 UNL1111111111 0.1776 72 H 6.6776 -5.4328 0.0567 H 1 UNL1111111111 0.1568 73 H 8.2783 -3.8592 1.1276 H 1 UNL1111111111 0.1573 @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