Mrv1652306202100193D 40 42 0 0 0 0 999 V2000 2.9808 1.0448 -3.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9027 0.2985 -3.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 1.0496 -2.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 2.2631 -2.4644 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 0.1690 -2.0378 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5513 0.6842 -0.6597 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4943 0.4857 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1157 1.6021 1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 1.4437 2.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 0.1679 2.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8504 -0.9503 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8795 -0.7934 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 0.0604 -0.2699 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8822 -0.0583 -1.4655 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1133 1.2901 -2.1503 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0206 1.3706 -3.2161 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2185 0.0689 -3.0608 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1945 -0.8794 -2.4794 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.1104 -1.4340 -3.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 1.7859 -4.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5694 1.5263 -3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 0.3484 -4.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -0.8342 -1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 1.7663 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 2.6081 0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 2.3183 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 0.0453 3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -1.9472 2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -1.6824 0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 -0.9413 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3768 0.6659 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8198 -0.5081 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0974 1.3167 -2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0663 2.1330 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4174 2.2754 -3.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 1.4153 -4.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -0.2737 -4.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 -2.0219 -4.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -0.6789 -4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 -2.1215 -2.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 18 19 1 0 0 0 0 15 14 1 0 0 0 0 5 3 1 0 0 0 0 14 13 1 0 0 0 0 3 2 1 0 0 0 0 5 17 1 0 0 0 0 3 4 2 0 0 0 0 17 16 1 0 0 0 0 14 18 1 0 0 0 0 7 8 2 0 0 0 0 18 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 13 6 1 0 0 0 0 10 11 1 0 0 0 0 5 6 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 6 7 1 0 0 0 0 16 15 1 0 0 0 0 2 1 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 14 32 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 5 23 1 0 0 0 0 17 37 1 0 0 0 0 6 24 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 M END > NP0031165 > NP-MRD > [H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])C([H])([H])[C@]2([H])N(C([H])([H])[H])[C@@]([H])(C([H])([H])C2([H])[H])[C@@]1([H])C(=O)OC([H])([H])[H] > InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15+/m1/s1 > OMBOXYLBBHNWHL-QPSCCSFWSA-N > C16H21NO2 > 259.349 > 259.15722892 > 2 > 40 > 29.145748589124317 > 1 > 0 > 0 > 1 > methyl (1S,2S,3R,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate > 2.68 > 2.511236302333333 > -2.73 > 0 > 3 > 1 > 9.274848767754918 > 29.54 > 74.5101 > 3 > 1 > 4.83e-01 g/l > methyl (1S,2S,3R,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate > 1 > NP0031165 > (1R)-3beta-phenyl-8-methyl-8-azabicyclo[3.2.1]octane-2beta-carboxylic aci+ $$$$