4054 Marvin 12300703363D 34 36 0 0 1 0 999 V2000 0.4412 3.0377 0.1842 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3334 -0.3709 -0.4034 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2407 -0.7080 -0.4019 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2307 1.5803 0.2454 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0323 -0.4253 1.8140 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1164 -1.0794 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 1.1821 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4193 0.8508 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -0.8132 1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -1.1413 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 1.1206 1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6617 -0.7571 -1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4265 -1.4225 -1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -0.7389 2.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0797 -0.8034 -2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -2.1650 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0867 1.5218 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 1.7051 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4896 1.1836 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3626 1.1410 0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2073 -0.3474 1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5233 -1.8933 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 -2.2257 1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 -0.9021 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 1.6287 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0908 1.3994 2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6478 -0.4566 -2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 -1.8363 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -0.2708 -0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4914 -1.1286 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3094 -2.5080 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 -1.1720 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4457 3.3192 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 3.4954 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END > 2 12 3 3 13 3 > InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12- > BUGYDGFZZOZRHP-CDECOKDKSA-N > 1/0/N:12,13,9,10,11,6,7,8,5,2,3,4,1/E:(1,2)(3,4)(7,8)(10,11)/rA:34cNCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHH/rB:;;s1;;s2s3;s2s4;s3s4;s2s5;s3s5;s4s5;s2;s3;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s1;s1;/rC:.4412,3.0377,.1842;-1.3334,-.3709,-.4034;1.2407,-.708,-.4019;.2307,1.5803,.2454;-.0323,-.4253,1.814;-.1164,-1.0794,-1.098;-1.1055,1.1821,-.4647;1.4193,.8508,-.4636;-1.3658,-.8132,1.1018;1.1592,-1.1413,1.104;.1711,1.1206,1.7384;-2.6617,-.7571,-1.1125;2.4265,-1.4225,-1.1095;-.074,-.7389,2.8603;-.0797,-.8034,-2.1565;-.2583,-2.165,-1.078;-1.0867,1.5218,-1.5047;-1.9427,1.7051,.0079;1.4896,1.1836,-1.5038;2.3626,1.141,.0095;-2.2073,-.3474,1.6235;-1.5233,-1.8933,1.1842;1.0382,-2.2257,1.1892;2.0909,-.9021,1.6255;-.6428,1.6287,2.2641;1.0908,1.3994,2.2613;-2.6478,-.4566,-2.1626;-2.8279,-1.8363,-1.0763;-3.516,-.2708,-.6363;2.4914,-1.1286,-2.1595;2.3094,-2.508,-1.0731;3.3762,-1.172,-.6321;.4457,3.3192,-.7993;-.3617,3.4954,.6223; > C12 H21 N > 179.3018 > N([H])([H])[C@]12C([H])([H])[C@]3([H])C([H])([H])[C@](C([H])([H])[H])(C1([H])[H])C([H])([H])[C@@](C([H])([H])[H])(C3([H])[H])C2([H])[H] > 3914 $$$$