@MOLECULE (4s,4as,5as,6s,12ar)-n-({4-[n-(diaminomethylene)carbamimidoyl]-1-piperazinyl}methyl)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxam ide 83 87 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.9675 -0.6443 1.4234 O.3 1 UNL11 -0.4933 2 O 2.3075 3.3989 -2.3144 O.3 1 UNL11 -0.5562 3 O 2.9603 0.5407 2.8981 O.2 1 UNL11 -0.5870 4 O 2.4087 -1.9674 2.1707 O.2 1 UNL11 -0.4517 5 O 0.7295 2.0189 2.6997 O.2 1 UNL11 -0.4062 6 O 2.0091 -2.0545 -2.4812 O.2 1 UNL11 -0.4334 7 O -1.6350 2.3127 1.9338 O.3 1 UNL11 -0.4196 8 O 0.9273 -4.1549 -0.4017 O.2 1 UNL11 -0.5214 9 N 5.0373 -2.2277 -1.1064 N.3 1 UNL11 -0.3719 10 N -0.1207 -2.4010 0.5702 N.am 1 UNL11 -0.6133 11 N -2.4405 -2.1361 0.9242 N.3 1 UNL11 -0.4496 12 N -5.0267 -0.9919 0.5219 N.pl3 1 UNL11 -0.4897 13 N -6.7777 0.2930 -0.5841 N.pl3 1 UNL11 -0.6934 14 N -6.5861 0.2877 1.7627 N.2 1 UNL11 -0.6229 15 N -7.7934 0.0672 -2.6497 N.pl3 1 UNL11 -0.6198 16 N -6.1746 -1.5499 -2.0545 N.pl3 1 UNL11 -0.6719 17 C 4.0272 0.0169 -0.6200 C.3 1 UNL11 -0.1304 18 C 2.9567 2.2545 -0.2854 C.3 1 UNL11 -0.0959 19 C 3.0150 1.0230 -1.1957 C.3 1 UNL11 -0.2929 20 C 3.7216 -0.3704 0.8440 C.3 1 UNL11 0.1464 21 C 4.0426 -1.2223 -1.5510 C.3 1 UNL11 -0.0816 22 C 2.1579 3.4315 -0.9065 C.3 1 UNL11 0.2883 23 C 2.3838 1.8143 1.0174 C.2 1 UNL11 -0.4555 24 C 3.0502 0.7459 1.6910 C.2 1 UNL11 0.4928 25 C 2.7507 -1.5428 0.9452 C.2 1 UNL11 0.3285 26 C 0.6657 3.3548 -0.6669 C.ar 1 UNL11 0.0887 27 C 2.6379 -1.8537 -1.4749 C.2 1 UNL11 0.4981 28 C 1.1555 2.2425 1.4603 C.2 1 UNL11 0.4519 29 C 2.1457 -2.1086 -0.1196 C.2 1 UNL11 -0.3862 30 C 0.1908 2.8444 0.5582 C.ar 1 UNL11 -0.2422 31 C 2.6789 4.7740 -0.3755 C.3 1 UNL11 -0.5090 32 C -0.2141 3.8242 -1.6318 C.ar 1 UNL11 -0.2415 33 C 4.9233 -3.4636 -1.9128 C.3 1 UNL11 -0.2905 34 C 6.4101 -1.6835 -1.1740 C.3 1 UNL11 -0.2843 35 C -1.1985 2.8293 0.7694 C.ar 1 UNL11 0.3561 36 C 0.9790 -3.0116 -0.0022 C.2 1 UNL11 0.6464 37 C -1.5921 3.7966 -1.3963 C.ar 1 UNL11 -0.0173 38 C -2.0940 3.3040 -0.2007 C.ar 1 UNL11 -0.3365 39 C -1.3742 -3.1497 0.7235 C.3 1 UNL11 0.0920 40 C -2.7698 -1.4350 -0.3398 C.3 1 UNL11 -0.1164 41 C -3.6471 -2.7596 1.5129 C.3 1 UNL11 -0.1215 42 C -4.6887 -1.6588 1.8048 C.3 1 UNL11 -0.0909 43 C -3.8214 -0.3398 -0.0509 C.3 1 UNL11 -0.1052 44 C -6.1592 -0.1043 0.6128 C.cat 1 UNL11 0.5415 45 C -6.8765 -0.3977 -1.6960 C.cat 1 UNL11 0.6103 46 H 5.0447 0.4869 -0.6242 H 1 UNL11 0.1688 47 H 4.0044 2.6229 -0.1128 H 1 UNL11 0.1513 48 H 2.0019 0.5813 -1.2937 H 1 UNL11 0.1718 49 H 3.2997 1.3002 -2.2282 H 1 UNL11 0.1610 50 H 4.2265 -0.8837 -2.6041 H 1 UNL11 0.1441 51 H 3.7516 4.9024 -0.5596 H 1 UNL11 0.1550 52 H 2.5189 4.8649 0.7059 H 1 UNL11 0.1713 53 H 2.1603 5.6126 -0.8600 H 1 UNL11 0.1653 54 H 4.8708 -1.1146 2.2850 H 1 UNL11 0.3277 55 H 3.2153 3.6484 -2.5749 H 1 UNL11 0.3202 56 H 0.1696 4.2001 -2.5817 H 1 UNL11 0.1809 57 H 3.9544 -3.9507 -1.6823 H 1 UNL11 0.1709 58 H 4.9883 -3.3125 -2.9991 H 1 UNL11 0.1236 59 H 5.7081 -4.1726 -1.6042 H 1 UNL11 0.1467 60 H 6.6676 -1.1985 -2.1249 H 1 UNL11 0.1127 61 H 6.5369 -0.9554 -0.3501 H 1 UNL11 0.1611 62 H 7.1367 -2.4898 -0.9862 H 1 UNL11 0.1454 63 H 2.6760 -1.3269 2.8996 H 1 UNL11 0.3620 64 H 1.4324 1.5264 3.2512 H 1 UNL11 0.3712 65 H -2.2770 4.1651 -2.1637 H 1 UNL11 0.1531 66 H -3.1650 3.2860 -0.0167 H 1 UNL11 0.1743 67 H -0.0823 -1.4890 0.9958 H 1 UNL11 0.3244 68 H -1.5299 -3.8049 -0.1701 H 1 UNL11 0.1414 69 H -1.3148 -3.8048 1.6290 H 1 UNL11 0.1386 70 H -2.6253 2.2017 1.9567 H 1 UNL11 0.3347 71 H -4.0912 -3.5399 0.8593 H 1 UNL11 0.1231 72 H -3.3611 -3.2463 2.4734 H 1 UNL11 0.1470 73 H -1.8418 -0.9585 -0.7311 H 1 UNL11 0.1588 74 H -3.1392 -2.1222 -1.1295 H 1 UNL11 0.1250 75 H -5.6128 -2.1034 2.2347 H 1 UNL11 0.1531 76 H -4.2974 -0.9404 2.5604 H 1 UNL11 0.1551 77 H -3.3954 0.4180 0.6416 H 1 UNL11 0.1324 78 H -4.0930 0.1819 -0.9928 H 1 UNL11 0.1459 79 H -7.4419 0.8133 1.8387 H 1 UNL11 0.2902 80 H -6.5824 -2.2060 -2.6914 H 1 UNL11 0.3045 81 H -7.5807 -0.0773 -3.6188 H 1 UNL11 0.2961 82 H -8.2159 0.9631 -2.4480 H 1 UNL11 0.3127 83 H -5.5928 -1.9481 -1.3209 H 1 UNL11 0.3367 @BOND 1 1 20 1 2 1 54 1 3 2 22 1 4 2 55 1 5 3 24 2 6 4 25 1 7 4 63 1 8 5 28 1 9 5 64 1 10 6 27 2 11 7 35 1 12 7 70 1 13 8 36 2 14 9 21 1 15 9 33 1 16 9 34 1 17 10 36 am 18 10 39 1 19 10 67 1 20 11 39 1 21 11 40 1 22 11 41 1 23 12 42 1 24 12 43 1 25 12 44 1 26 13 44 1 27 13 45 2 28 14 44 2 29 14 79 1 30 15 45 1 31 15 81 1 32 15 82 1 33 16 45 1 34 16 80 1 35 16 83 1 36 17 19 1 37 17 20 1 38 17 21 1 39 17 46 1 40 18 19 1 41 18 22 1 42 18 23 1 43 18 47 1 44 19 48 1 45 19 49 1 46 20 24 1 47 20 25 1 48 21 27 1 49 21 50 1 50 22 26 1 51 22 31 1 52 23 24 1 53 23 28 2 54 25 29 2 55 26 30 ar 56 26 32 ar 57 27 29 1 58 28 30 1 59 29 36 1 60 30 35 ar 61 31 51 1 62 31 52 1 63 31 53 1 64 32 37 ar 65 32 56 1 66 33 57 1 67 33 58 1 68 33 59 1 69 34 60 1 70 34 61 1 71 34 62 1 72 35 38 ar 73 37 38 ar 74 37 65 1 75 38 66 1 76 39 68 1 77 39 69 1 78 40 43 1 79 40 73 1 80 40 74 1 81 41 42 1 82 41 71 1 83 41 72 1 84 42 75 1 85 42 76 1 86 43 77 1 87 43 78 1