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1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2089 -4.1195 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 -5.3901 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2572 -4.0055 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -5.4439 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5601 -4.0195 -1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 -3.8063 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0107 -1.7163 -2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.2549 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7121 -1.5202 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5839 -0.9575 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6987 -2.2718 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5846 -1.3232 2.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 -0.3757 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8929 -1.4904 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 -3.4224 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1785 -5.5101 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0736 -5.6525 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 -3.6970 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 1.7167 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 1.1407 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 2.4144 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 3.4937 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 3.3588 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 4.5971 -2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2966 4.7475 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6807 5.8193 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 5.6243 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6371 4.1762 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9293 5.2143 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 2.1922 -1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 3.3856 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7809 4.6257 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1069 4.1010 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 5.0517 0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 0.0507 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5328 0.5533 1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1443 1.8218 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9712 0.6082 -1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9277 -1.0173 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9455 0.1007 -3.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 0.7205 -3.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5698 1.6795 -2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3008 1.5018 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1326 0.3136 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4993 -0.2507 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 9 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 20 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 33 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 4 1 0 0 0 0 16 11 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 4 48 1 6 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 8 51 1 0 0 0 0 9 52 1 1 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 12 55 1 0 0 0 0 13 56 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 0 0 0 0 16 59 1 0 0 0 0 19 60 1 0 0 0 0 20 61 1 6 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 64 1 6 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 6 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 1 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 80 1 6 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 M END > NP0010663 > NP-MRD > [H]N1C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C30H46N4O6/c1-7-11-22-17-26(35)32-24(16-21-12-9-8-10-13-21)29(38)33-23(14-18(2)3)28(37)31-20(6)27(36)34-25(15-19(4)5)30(39)40-22/h8-10,12-13,18-20,22-25H,7,11,14-17H2,1-6H3,(H,31,37)(H,32,35)(H,33,38)(H,34,36)/t20-,22-,23-,24+,25+/m1/s1 > MORYTXVBPXJFDZ-HFDWIEFGSA-N > C30H46N4O6 > 558.72 > 558.341735217 > 5 > 86 > 60.60986837449788 > 1 > 4 > 0 > 0 > (3S,6R,9R,12S,16R)-12-benzyl-6-methyl-3,9-bis(2-methylpropyl)-16-propyl-1-oxa-4,7,10,13-tetraazacyclohexadecane-2,5,8,11,14-pentone > 2.85 > 3.2630268763333325 > -4.29 > 0 > 2 > 0 > 11.247716761592738 > 10.7290444886535 > -2.141152806437414 > 142.7 > 150.25270000000003 > 8 > 0 > 2.89e-02 g/l > (3S,6R,9R,12S,16R)-12-benzyl-6-methyl-3,9-bis(2-methylpropyl)-16-propyl-1-oxa-4,7,10,13-tetraazacyclohexadecane-2,5,8,11,14-pentone > 0 > NP0010663 > Solonamide A $$$$