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0 0 0 0 0 -4.2253 2.5578 1.3956 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7752 3.7847 0.6101 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0023 3.4156 -0.2260 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0621 2.8305 0.7113 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0870 1.2853 1.3295 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3326 5.6438 2.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 5.2522 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 6.9267 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7405 6.5400 2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1475 5.6037 1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8585 5.4931 2.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8819 3.1687 3.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1458 3.0772 3.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3306 1.1946 2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7834 0.7763 3.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1834 0.2372 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4386 -1.6189 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4562 -2.5510 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1968 -1.6627 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8696 -0.2703 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 0.6295 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0 0 0 0 2.8359 1.7911 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3329 1.4104 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 2.9010 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 1.5362 2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 0.4623 2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 -1.2341 3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 -2.3862 4.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8281 -3.3670 2.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1953 -2.3469 2.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.7594 -2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -2.4379 -3.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6153 -2.8624 -6.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6722 -3.6821 -7.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6929 -2.5808 -7.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0766 -1.0191 -5.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 -1.9951 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7757 -2.6452 -5.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 2.9073 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 2.8239 2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0193 4.1790 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7369 2.7068 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3965 4.3011 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0020 2.7349 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8172 0.6618 2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 46 47 1 0 0 0 0 8 65 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 9 10 2 0 0 0 0 56 30 1 0 0 0 0 10 11 1 0 0 0 0 40 41 1 0 0 0 0 11 12 2 0 0 0 0 22 23 2 0 0 0 0 12 13 1 0 0 0 0 30 31 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 14 15 1 0 0 0 0 8 9 1 0 0 0 0 23 24 1 0 0 0 0 8 7 1 1 0 0 0 43 38 2 0 0 0 0 66126 1 1 0 0 0 24 25 2 0 0 0 0 62121 1 1 0 0 0 31 32 1 0 0 0 0 65 5 1 0 0 0 0 25 26 1 0 0 0 0 7 6 1 0 0 0 0 6 5 1 0 0 0 0 43 44 1 0 0 0 0 5 4 1 0 0 0 0 26 27 2 0 0 0 0 63 3 1 0 0 0 0 4 3 1 0 0 0 0 27 22 1 0 0 0 0 3 2 2 0 0 0 0 44 56 1 0 0 0 0 2 1 1 0 0 0 0 27 28 1 0 0 0 0 65125 1 6 0 0 0 28 55 1 0 0 0 0 16 17 2 0 0 0 0 21 22 1 0 0 0 0 18 19 1 0 0 0 0 19 50 1 0 0 0 0 37 38 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 6 0 0 0 49 50 1 0 0 0 0 19 81 1 6 0 0 0 15 16 1 0 0 0 0 55112 1 6 0 0 0 21 55 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 32 33 1 0 0 0 0 46 45 2 0 0 0 0 45 44 1 0 0 0 0 37 36 1 6 0 0 0 37 56 1 0 0 0 0 33 34 1 0 0 0 0 38 39 1 0 0 0 0 31 58 1 0 0 0 0 37 33 1 0 0 0 0 58 57 1 0 0 0 0 57 34 1 0 0 0 0 15 66 1 0 0 0 0 58 59 2 0 0 0 0 16 18 1 0 0 0 0 59 60 1 0 0 0 0 18 61 2 0 0 0 0 56113 1 6 0 0 0 61 62 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 62 66 1 0 0 0 0 52 53 2 0 0 0 0 8 66 1 0 0 0 0 53 54 1 0 0 0 0 39 40 2 0 0 0 0 34 35 1 0 0 0 0 36 35 1 0 0 0 0 21 49 1 0 0 0 0 43 42 1 0 0 0 0 42 41 2 0 0 0 0 55 46 1 0 0 0 0 47 52 1 0 0 0 0 31 89 1 1 0 0 0 32 90 1 0 0 0 0 32 91 1 0 0 0 0 33 92 1 6 0 0 0 39 97 1 0 0 0 0 40 98 1 0 0 0 0 41 99 1 0 0 0 0 47102 1 1 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 49105 1 6 0 0 0 23 84 1 0 0 0 0 24 85 1 0 0 0 0 25 86 1 0 0 0 0 26 87 1 0 0 0 0 61120 1 0 0 0 0 63122 1 6 0 0 0 64123 1 0 0 0 0 64124 1 0 0 0 0 10 77 1 0 0 0 0 11 78 1 0 0 0 0 12 79 1 0 0 0 0 13 80 1 0 0 0 0 7 75 1 0 0 0 0 7 76 1 0 0 0 0 6 73 1 0 0 0 0 6 74 1 0 0 0 0 4 71 1 0 0 0 0 4 72 1 0 0 0 0 2 70 1 0 0 0 0 1 67 1 0 0 0 0 1 68 1 0 0 0 0 1 69 1 0 0 0 0 20 82 1 0 0 0 0 20 83 1 0 0 0 0 29 88 1 0 0 0 0 45101 1 0 0 0 0 36 95 1 0 0 0 0 36 96 1 0 0 0 0 57114 1 0 0 0 0 57115 1 0 0 0 0 59116 1 0 0 0 0 60117 1 0 0 0 0 60118 1 0 0 0 0 60119 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 53108 1 0 0 0 0 54109 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 35 93 1 0 0 0 0 35 94 1 0 0 0 0 42100 1 0 0 0 0 M END > NP0024038 > NP-MRD > [H]\C(=C1/C([H])([H])N2C([H])([H])C([H])([H])[C@]34C5=C(C([H])=C([H])C([H])=C5[H])N5\C([H])=C6/[C@]7([H])N(\C([H])=C(/[C@@]35[H])[C@@]1([H])C([H])([H])[C@]24[H])C1=C([H])C([H])=C([H])C([H])=C1[C@@]71C([H])([H])[C@@]([H])(N2C([H])([H])\C(=C(/[H])C([H])([H])[H])[C@]6([H])C([H])([H])[C@@]12[H])C1=C([H])[C@]2([H])[C@]3([H])N(C4=C([H])C([H])=C([H])C([H])=C4[C@@]33C([H])([H])C([H])([H])N4C([H])([H])\C(=C(/[H])C([H])([H])[H])[C@]2([H])C([H])([H])[C@@]34[H])C1=O)C([H])([H])[H] > InChI=1S/C59H60N6O/c1-4-33-28-61-22-20-58-45-15-9-12-18-48(45)65-55(58)39(36(33)24-51(58)61)23-40(56(65)66)49-27-59-44-14-8-11-17-47(44)64-31-41-37-25-50-57(19-21-60(50)29-34(37)5-2)43-13-7-10-16-46(43)63(53(41)57)32-42(54(59)64)38-26-52(59)62(49)30-35(38)6-3/h4-18,23,31-32,36-39,49-55H,19-22,24-30H2,1-3H3/b33-4-,34-5-,35-6-,41-31-,42-32-/t36-,37-,38-,39-,49+,50-,51-,52-,53-,54-,55-,57+,58+,59+/m0/s1 > DXTTUINJHHYHFN-QCOWUWOVSA-N > C59H60N6O > 869.17 > 868.482860576 > 6 > 126 > 100.9790022012619 > 0 > 0 > 0 > 0 > (1R,12S,13R,14E,19S,21S)-10-[(1R,11S,13S,15R,17R,25Z,27S,28E,33S,35S,37E,38S)-28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2^{11,14}.1^{1,8}.1^{10,17}.0^{2,7}.0^{13,17}.0^{18,23}.0^{30,33}.0^{24,35}.0^{26,38}]octatriaconta-2(7),3,5,9,18,20,22,25-octaen-15-yl]-14-ethylidene-8,16-diazahexacyclo[11.5.2.1^{1,8}.0^{2,7}.0^{16,19}.0^{12,21}]henicosa-2,4,6,10-tetraen-9-one > 6.07 > 7.079875832333334 > -4.50 > 0 > 17 > 3 > 10.137085129301589 > 36.510000000000005 > 266.39899999999994 > 1 > 0 > 2.76e-02 g/l > (1R,12S,13R,14E,19S,21S)-10-[(1R,11S,13S,15R,17R,25Z,27S,28E,33S,35S,37E,38S)-28,37-diethylidene-8,14,24,30-tetraazaundecacyclo[25.5.2.2^{11,14}.1^{1,8}.1^{10,17}.0^{2,7}.0^{13,17}.0^{18,23}.0^{30,33}.0^{24,35}.0^{26,38}]octatriaconta-2(7),3,5,9,18,20,22,25-octaen-15-yl]-14-ethylidene-8,16-diazahexacyclo[11.5.2.1^{1,8}.0^{2,7}.0^{16,19}.0^{12,21}]henicosa-2,4,6,10-tetraen-9-one > 1 > NP0024038 > Strychnohexamine $$$$