56589064 -OEChem-04242420412D 73 79 0 1 0 0 0 0 0999 V2000 10.4203 3.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7345 2.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0484 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7377 2.9244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6977 0.0091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2847 1.8069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3310 -1.6837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0686 2.1812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3923 0.9613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3752 1.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0893 1.7354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0904 2.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7598 2.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4287 3.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 3.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4506 4.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0683 1.5312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7874 3.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 2.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3809 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 -0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4718 2.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0257 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 4.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7724 2.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 3.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 1.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1991 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8529 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6591 -2.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 -0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 -0.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6817 -2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9644 -3.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -1.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0097 -2.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 -4.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3151 -3.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 1.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9748 0.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7602 1.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 0.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6544 2.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0427 3.9617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4504 4.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6828 4.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9248 4.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6752 1.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2836 1.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 0.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5748 -0.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9699 0.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5438 -0.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2810 -0.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8063 0.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3037 4.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3415 2.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1665 2.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 4.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9370 -1.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 1.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 0.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9763 -0.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4924 -1.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5704 -3.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4971 -1.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 -1.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 -2.8219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4817 -4.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8984 -4.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 19 2 1 1 0 0 0 2 60 1 0 0 0 0 3 25 2 0 0 0 0 4 33 1 0 0 0 0 4 38 1 0 0 0 0 5 35 1 0 0 0 0 5 38 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 11 7 1 1 0 0 0 7 23 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 8 52 1 0 0 0 0 9 25 1 0 0 0 0 9 32 1 0 0 0 0 9 63 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 42 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 46 1 6 0 0 0 14 17 2 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 27 2 0 0 0 0 24 29 1 0 0 0 0 26 28 2 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 30 64 1 0 0 0 0 31 34 2 0 0 0 0 31 65 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 36 39 1 0 0 0 0 36 67 1 0 0 0 0 37 40 2 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 M END > 56589064 > 1 > 976 > 5 > 3 > 4 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWJAAAA8eMECAAAAAFix9AAAHgAQCAAADTzhngczzvPJlgCoAyVyVACCiCAhIiAImSE+7Jiddv7E8Zu0cCpu9hPO6CeY2fOeoAADAAACQABAAAYAAASAAAAAAAAAAA== > 1-[(2S,3R,12bS)-11-(1,3-benzodioxol-5-yl)-3-[(1S)-1-hydroxyethyl]-4-oxo-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-1-methyl-3-phenyl-urea > 1-[(2S,3R,12bS)-11-(1,3-benzodioxol-5-yl)-3-[(1S)-1-hydroxyethyl]-4-oxo-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-1-methyl-3-phenylurea > 1-[(2S,3R,12bS)-11-(1,3-benzodioxol-5-yl)-3-[(1S)-1-hydroxyethyl]-4-oxo-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-1-methyl-3-phenylurea > 1-[(2S,3R,12bS)-11-(1,3-benzodioxol-5-yl)-3-[(1S)-1-hydroxyethyl]-4-oxo-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-1-methyl-3-phenylurea > 1-[(2S,3R,12bS)-11-(1,3-benzodioxol-5-yl)-3-[(1S)-1-oxidanylethyl]-4-oxidanylidene-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-1-methyl-3-phenyl-urea > 1-[(2S,3R,12bS)-11-(1,3-benzodioxol-5-yl)-3-[(1S)-1-hydroxyethyl]-4-keto-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]beta-carbolin-2-yl]-1-methyl-3-phenyl-urea > InChI=1S/C32H32N4O5/c1-18(37)28-24(35(2)32(39)33-20-7-4-3-5-8-20)16-25-30-23(13-14-36(25)31(28)38)22-10-6-9-21(29(22)34-30)19-11-12-26-27(15-19)41-17-40-26/h3-12,15,18,24-25,28,34,37H,13-14,16-17H2,1-2H3,(H,33,39)/t18-,24-,25-,28-/m0/s1 > FFXMQDFNEXMIDG-SDLQSRIMSA-N > 4.2 > 552.23727013 > C32H32N4O5 > 552.6 > CC(C1C(CC2C3=C(CCN2C1=O)C4=C(N3)C(=CC=C4)C5=CC6=C(C=C5)OCO6)N(C)C(=O)NC7=CC=CC=C7)O > C[C@@H]([C@H]1[C@H](C[C@H]2C3=C(CCN2C1=O)C4=C(N3)C(=CC=C4)C5=CC6=C(C=C5)OCO6)N(C)C(=O)NC7=CC=CC=C7)O > 107 > 552.23727013 > 0 > 41 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 42 6 13 46 6 14 17 8 17 20 8 19 2 5 20 21 8 20 26 8 21 24 8 24 27 8 26 28 8 27 28 8 29 30 8 29 31 8 30 33 8 31 34 8 32 36 8 32 37 8 33 35 8 34 35 8 36 39 8 37 40 8 39 41 8 40 41 8 11 7 5 8 14 8 8 21 8 $$$$