4946 Marvin 12300703363D 40 41 0 0 1 0 999 V2000 0.3091 1.0376 -1.6094 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -1.7973 -1.1125 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 -2.5921 1.1601 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3207 -0.8246 -0.4274 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5657 -1.2777 1.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4715 -3.0682 2.5446 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5925 0.5382 -0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3205 -4.3558 2.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1768 -3.3014 3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 2.0937 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8024 2.0547 -1.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 3.2823 -1.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2993 3.3266 -1.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5216 0.8339 -1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8253 4.5086 -1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 4.5304 -1.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9407 3.2551 -1.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9256 0.8205 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6341 2.0322 -1.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.7250 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 -0.5301 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -1.3226 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -2.3240 3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -2.4972 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 1.2559 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3335 0.4034 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2523 -4.1609 1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 -4.7244 3.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 -5.1400 1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4003 -3.7507 4.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4876 -3.9535 2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 -2.3611 3.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4074 -1.4487 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 3.3538 -1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 -0.0686 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3231 5.4017 -1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 5.4212 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4827 4.1223 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 -0.0694 -1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6555 2.0213 -1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 M END > 10 11 8 10 13 8 11 12 8 11 14 8 12 15 8 12 17 8 13 16 8 14 18 8 15 16 8 17 19 8 18 19 8 4 2 3 > InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1 > AQHHHDLHHXJYJD-CQSZACIVSA-N > 1/0/N:8,9,19,18,16,17,15,14,13,5,7,6,12,4,11,10,3,2,1/E:(1,2)/it:im/rA:40cOONCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3s4;s3;s1s4;s6;s6;s1;s10;s11;d10;d11;s12;s13d15;d12;s14;s17d18;s4;s5;s5;s6;s3;s7;s7;s8;s8;s8;s9;s9;s9;s2;s13;s14;s15;s16;s17;s18;s19;/rC:.3091,1.0376,-1.6094;.5313,-1.7973,-1.1125;2.2189,-2.5921,1.1601;1.3207,-.8246,-.4274;1.5657,-1.2777,1.0314;2.4715,-3.0682,2.5446;.5925,.5382,-.3983;3.3205,-4.3558,2.4444;1.1768,-3.3014,3.37;-.3839,2.0937,-1.746;-1.8024,2.0547,-1.7514;-2.5283,3.2823,-1.7219;.2993,3.3266,-1.7783;-2.5216,.8339,-1.7495;-1.8253,4.5086,-1.7199;-.4208,4.5304,-1.7566;-3.9407,3.2551,-1.6751;-3.9256,.8205,-1.697;-4.6341,2.0322,-1.6585;2.274,-.725,-.9535;2.1779,-.5301,1.5445;.5915,-1.3226,1.5222;3.0793,-2.324,3.0699;3.131,-2.4972,.7065;1.2146,1.2559,.1486;-.3335,.4034,.1752;4.2523,-4.1609,1.9093;3.5807,-4.7244,3.4386;2.7756,-5.14,1.9147;1.4003,-3.7507,4.3385;.4876,-3.9535,2.8299;.6643,-2.3611,3.5799;.4074,-1.4487,-2.0207;1.3228,3.3538,-1.7851;-2.0401,-.0686,-1.7804;-2.3231,5.4017,-1.6863;.0813,5.4212,-1.7524;-4.4827,4.1223,-1.6467;-4.4295,-.0694,-1.6842;-5.6555,2.0213,-1.6175; > C16 H21 N O2 > 259.3434 > O(C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[C@@]([H])(C([H])([H])[N@@]([H])C([H])(C([H])([H])[H])C([H])([H])[H])O[H] > 4777 $$$$