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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1165 8.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7998 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1137 6.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0665 8.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4040 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8119 8.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6574 10.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4786 23.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7465 23.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6125 21.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4786 16.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7465 16.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6125 15.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 13.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 13.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3446 22.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8805 22.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7465 21.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3446 16.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8805 16.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7465 14.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 13.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2106 23.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0145 23.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7465 20.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2106 16.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0145 16.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7465 13.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 13.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0766 22.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1484 22.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8805 19.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0766 16.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1484 16.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8805 13.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 13.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 13.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0452 5.6832 0.0000 B 0 0 0 0 0 1 0 0 0 0 0 0 12.6581 4.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9689 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5074 9.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9645 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0915 8.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0321 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8139 8.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0877 6.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6378 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8450 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8341 6.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6270 6.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6314 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6380 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8417 9.9770 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0 0 0 0 0 0 0 0 0 0 0 0 5.3346 12.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 12.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 12.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 12.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 12.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 11.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6092 23.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8121 23.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4130 23.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6159 23.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 19.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3571 20.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6091 17.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8121 17.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4130 17.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6159 17.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 13.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3571 13.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 14.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 14.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 75 84 1 0 0 0 0 75161 1 0 0 0 0 75162 1 0 0 0 0 76 85 1 0 0 0 0 76163 1 0 0 0 0 76164 1 0 0 0 0 77 86 1 0 0 0 0 77165 1 0 0 0 0 77166 1 0 0 0 0 78 87 1 0 0 0 0 78167 1 0 0 0 0 78168 1 0 0 0 0 79169 1 0 0 0 0 79170 1 0 0 0 0 79171 1 0 0 0 0 80172 1 0 0 0 0 80173 1 0 0 0 0 80174 1 0 0 0 0 81175 1 0 0 0 0 81176 1 0 0 0 0 81177 1 0 0 0 0 82178 1 0 0 0 0 82179 1 0 0 0 0 82180 1 0 0 0 0 83181 1 0 0 0 0 83182 1 0 0 0 0 83183 1 0 0 0 0 84184 1 0 0 0 0 84185 1 0 0 0 0 84186 1 0 0 0 0 85187 1 0 0 0 0 85188 1 0 0 0 0 85189 1 0 0 0 0 86190 1 0 0 0 0 86191 1 0 0 0 0 86192 1 0 0 0 0 87193 1 0 0 0 0 87194 1 0 0 0 0 87195 1 0 0 0 0 M END > 70694096 > 1 > 1410 > 26 > 8 > 39 > AAADcfJ//AMAAAAAAAAAAAAAAAAAAWLEiQAsWAAAAAAAAFgB/gABHgAQCCAACBzhlwYH8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C20H26BN10O15P3.3C12H27N/c21-47(36,41-1-7-11(32)13(34)19(43-7)30-5-28-9-15(22)24-3-26-17(9)30)45-49(39,40)46-48(37,38)42-2-8-12(33)14(35)20(44-8)31-6-29-10-16(23)25-4-27-18(10)31;3*1-4-7-10-13(11-8-5-2)12-9-6-3/h3-8,11-14,19-20,32-35H,1-2H2,(H,37,38)(H,39,40)(H2,22,24,26)(H2,23,25,27);3*4-12H2,1-3H3/t7-,8-,11-,12-,13-,14-,19-,20-,47?;;;/m1.../s1 > DOAPLUPZPGXYTM-AVVANNIKSA-N > 1305.7315509 > C56H107BN13O15P3 > 1306.3 > [B]P(=O)(OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC > [B]P(=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC > 377 > 1305.7315509 > 0 > 88 > 8 > 1 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 35 19 5 19 42 8 19 44 8 2 88 3 38 20 6 20 43 8 20 45 8 21 44 8 21 46 8 22 45 8 22 47 8 23 42 8 23 50 8 24 43 8 24 51 8 25 48 8 25 50 8 26 49 8 26 51 8 37 40 5 39 41 6 42 46 8 43 47 8 46 48 8 47 49 8 32 6 6 33 7 6 34 8 5 36 9 5 $$$$