null CDK 0225161912 null 35 39 0 0 0 0 0 0 0 0999 V2000 -6.4725 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -4.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -5.3354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4725 -5.7479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2590 -6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 -7.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4684 -7.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1828 -7.0603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3964 -6.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9839 -5.5489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4861 -4.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3040 -5.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6197 -5.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4377 -5.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9399 -5.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6242 -4.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8062 -4.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1264 -3.8007 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.1175 -6.4188 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.8373 -7.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -5.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -4.5104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0435 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 -3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -2.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 -2.8604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 -3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 -3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 16 18 1 0 0 0 0 13 19 1 0 0 0 0 8 20 1 6 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 34 35 1 0 0 0 0 35 26 1 0 0 0 0 M END > CHEBI:126310 > 2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone > 2 > C27H32F2N2O4 > 486.552 > 486.23301 > 0 > C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4 > InChI=1S/C27H32F2N2O4/c28-21-5-7-24(29)20(11-21)14-31-15-22(32)16-34-17-26-25(31)8-6-23(35-26)12-27(33)30-10-9-18-3-1-2-4-19(18)13-30/h1-5,7,11,22-23,25-26,32H,6,8-10,12-17H2/t22-,23+,25+,26-/m1/s1 > OFDCMTXAJHTHOC-MFYWSIJSSA-N > LSM-37876 $$$$