12
Acetone
C                0.7431      0.1386      0.8019
C               -0.7085     -0.1598      0.8181
O               -1.3051     -0.7709      1.6938
C               -1.4451      0.3016     -0.4352
H                1.1953     -0.0966      1.7925
H                0.9068      1.2177      0.5738
H                1.2464     -0.4432     -0.0326
H               -1.3567      1.4036     -0.5549
H               -0.9639     -0.1755     -1.3232
H               -2.5155      0.0175     -0.3770
H                2.3186     -0.3173     -1.6802
O                1.8845     -1.1158     -1.2771
12
M1
C                0.7376      0.1477      0.8210
C               -0.7135     -0.1561      0.8262
O               -1.3132     -0.7741      1.6952
C               -1.4399      0.3004     -0.4307
H                1.1849     -0.0924      1.8126
H                0.8998      1.2284      0.5996
H                1.2406     -0.4297     -0.0168
H               -1.3228      1.3946     -0.5908
H               -0.9109     -0.2503     -1.3708
H               -2.5140      0.0278     -0.3881
H                2.2924     -0.2977     -1.6786
O                1.8591     -1.0987     -1.2786
12
M2
C                0.7319      0.1565      0.8425
C               -0.7193     -0.1511      0.8339
O               -1.3241     -0.7747      1.6956
C               -1.4323      0.3005     -0.4276
H                1.1719     -0.0903      1.8358
H                0.8940      1.2391      0.6305
H                1.2372     -0.4159      0.0027
H               -1.2867      1.3847     -0.6274
H               -0.8465     -0.3274     -1.4107
H               -2.5091      0.0362     -0.4070
H                2.2401     -0.2738     -1.6935
O                1.8428     -1.0836     -1.2747
12
M3
C                0.7253      0.1652      0.8600
C               -0.7264     -0.1455      0.8406
O               -1.3339     -0.7746      1.6969
C               -1.4285      0.3031     -0.4231
H                1.1594     -0.0854      1.8549
H                0.8872      1.2489      0.6538
H                1.2320     -0.4047      0.0195
H               -1.2647      1.3788     -0.6525
H               -0.7741     -0.3912     -1.4469
H               -2.5047      0.0357     -0.4277
H                2.2007     -0.2567     -1.7013
O                1.8277     -1.0735     -1.2742
12
M4
C                0.7176      0.1740      0.8781
C               -0.7353     -0.1393      0.8469
O               -1.3456     -0.7731      1.6983
C               -1.4249      0.3062     -0.4190
H                1.1450     -0.0827      1.8743
H                0.8795      1.2593      0.6804
H                1.2273     -0.3924      0.0369
H               -1.2400      1.3713     -0.6797
H               -0.6959     -0.4589     -1.4746
H               -2.5003      0.0368     -0.4497
H                2.1538     -0.2377     -1.7166
O                1.8186     -1.0635     -1.2753
12
M5
C                0.7086      0.1850      0.8919
C               -0.7451     -0.1339      0.8507
O               -1.3531     -0.7778      1.6968
C               -1.4270      0.3119     -0.4134
H                1.1302     -0.0747      1.8898
H                0.8690      1.2716      0.6999
H                1.2214     -0.3802      0.0518
H               -1.2289      1.3690     -0.6957
H               -0.6137     -0.5140     -1.4985
H               -2.4992      0.0341     -0.4686
H                2.1296     -0.2307     -1.7237
O                1.8082     -1.0603     -1.2810
12
M6
C                0.6980      0.1969      0.9066
C               -0.7575     -0.1285      0.8535
O               -1.3613     -0.7834      1.6950
C               -1.4302      0.3182     -0.4078
H                1.1124     -0.0661      1.9067
H                0.8568      1.2848      0.7209
H                1.2163     -0.3674      0.0693
H               -1.2177      1.3667     -0.7111
H               -0.5243     -0.5675     -1.5140
H               -2.4986      0.0321     -0.4880
H                2.1016     -0.2247     -1.7383
O                1.8044     -1.0612     -1.2928
12
M7
C                0.6855      0.2111      0.9240
C               -0.7724     -0.1236      0.8544
O               -1.3694     -0.7930      1.6908
C               -1.4336      0.3248     -0.4027
H                1.0902     -0.0570      1.9267
H                0.8417      1.3009      0.7474
H                1.2127     -0.3511      0.0907
H               -1.2000      1.3617     -0.7295
H               -0.4322     -0.6278     -1.5181
H               -2.4996      0.0367     -0.5059
H                2.0713     -0.2184     -1.7617
O                1.8058     -1.0642     -1.3161
12
M8
C                0.6704      0.2284      0.9461
C               -0.7902     -0.1191      0.8541
O               -1.3777     -0.8053      1.6858
C               -1.4367      0.3307     -0.3975
H                1.0621     -0.0479      1.9517
H                0.8226      1.3208      0.7830
H                1.2112     -0.3287      0.1182
H               -1.1735      1.3510     -0.7529
H               -0.3394     -0.6965     -1.5104
H               -2.5018      0.0481     -0.5225
H                2.0424     -0.2118     -1.7972
O                1.8108     -1.0696     -1.3585
12
M9
C                0.6514      0.2517      0.9739
C               -0.8103     -0.1179      0.8511
O               -1.3812     -0.8308      1.6758
C               -1.4402      0.3381     -0.3901
H                1.0258     -0.0242      1.9862
H                0.7966      1.3458      0.8152
H                1.2142     -0.3042      0.1601
H               -1.1501      1.3435     -0.7665
H               -0.2403     -0.7501     -1.5012
H               -2.5033      0.0594     -0.5383
H                2.0215     -0.2189     -1.8402
O                1.8161     -1.0924     -1.4260
12
M10
C                0.6302      0.2775      1.0086
C               -0.8299     -0.1189      0.8463
O               -1.3842     -0.8614      1.6615
C               -1.4404      0.3458     -0.3831
H                0.9807      0.0036      2.0299
H                0.7684      1.3729      0.8530
H                1.2244     -0.2754      0.2152
H               -1.1150      1.3301     -0.7853
H               -0.1424     -0.8149     -1.4811
H               -2.5026      0.0776     -0.5554
H                1.9919     -0.2217     -1.8943
O                1.8189     -1.1151     -1.5154
12
M11
C                0.6083      0.3047      1.0452
C               -0.8469     -0.1229      0.8394
O               -1.3819     -0.8988      1.6435
C               -1.4387      0.3547     -0.3743
H                0.9303      0.0406      2.0784
H                0.7387      1.4003      0.8845
H                1.2411     -0.2476      0.2817
H               -1.0795      1.3169     -0.8003
H               -0.0483     -0.8727     -1.4671
H               -2.4975      0.0923     -0.5745
H                1.9650     -0.2260     -1.9395
O                1.8093     -1.1415     -1.6169
12
M12
C                0.5906      0.3256      1.0723
C               -0.8585     -0.1308      0.8296
O               -1.3710     -0.9433      1.6198
C               -1.4402      0.3677     -0.3626
H                0.8796      0.0921      2.1226
H                0.7196      1.4168      0.8833
H                1.2613     -0.2420      0.3539
H               -1.0547      1.3117     -0.8062
H                0.0384     -0.9179     -1.4622
H               -2.4921      0.1022     -0.5924
H                1.9427     -0.2199     -1.9390
O                1.7841     -1.1623     -1.7192
12
M13
C                0.5746      0.3438      1.0943
C               -0.8660     -0.1408      0.8183
O               -1.3531     -0.9931      1.5903
C               -1.4452      0.3832     -0.3484
H                0.8244      0.1585      2.1640
H                0.7090      1.4254      0.8592
H                1.2828     -0.2517      0.4369
H               -1.0428      1.3148     -0.8031
H                0.1211     -0.9501     -1.4661
H               -2.4870      0.1057     -0.6082
H                1.9330     -0.2200     -1.9234
O                1.7491     -1.1756     -1.8138
12
M14
C                0.5638      0.3562      1.1089
C               -0.8668     -0.1543      0.8039
O               -1.3254     -1.0471      1.5552
C               -1.4501      0.3970     -0.3340
H                0.7597      0.2610      2.2014
H                0.7225      1.4123      0.7887
H                1.3063     -0.2967      0.5516
H               -1.0372      1.3204     -0.7961
H                0.1897     -0.9838     -1.4891
H               -2.4808      0.1051     -0.6210
H                1.9198     -0.2099     -1.8521
O                1.6985     -1.1602     -1.9174
12
M15
C                0.5491      0.4177      1.1676
C               -0.7555     -0.1463      0.7447
O               -1.0690     -1.0776      1.3757
C               -1.3950      0.4017     -0.3414
H                0.6989      0.2605      2.2429
H                0.6157      1.4660      0.9017
H                1.3451     -0.1223      0.6685
H               -1.0979      1.3393     -0.7120
H                0.1887     -0.9089     -1.6190
H               -2.3492      0.0652     -0.6999
H                1.7271     -0.4342     -1.7644
O                1.5420     -1.2611     -1.9644
12
M16
C                0.5345      0.4791      1.2263
C               -0.6442     -0.1383      0.6854
O               -0.8125     -1.1080      1.1962
C               -1.3399      0.4064     -0.3488
H                0.6382      0.2599      2.2844
H                0.5089      1.5197      1.0146
H                1.3839      0.0522      0.7854
H               -1.1586      1.3582     -0.6279
H                0.1877     -0.8339     -1.7489
H               -2.2177      0.0254     -0.7787
H                1.5344     -0.6585     -1.6766
O                1.3854     -1.3621     -2.0113
12
M17
C                0.5198      0.5406      1.2850
C               -0.5329     -0.1303      0.6262
O               -0.5561     -1.1385      1.0167
C               -1.2848      0.4111     -0.3562
H                0.5774      0.2594      2.3259
H                0.4021      1.5734      1.1276
H                1.4227      0.2266      0.9023
H               -1.2193      1.3771     -0.5438
H                0.1867     -0.7590     -1.8788
H               -2.0861     -0.0145     -0.8576
H                1.3417     -0.8828     -1.5889
O                1.2289     -1.4630     -2.0583
12
M18
C                0.5052      0.6021      1.3437
C               -0.4217     -0.1224      0.5669
O               -0.2996     -1.1690      0.8372
C               -1.2298      0.4157     -0.3635
H                0.5166      0.2589      2.3673
H                0.2952      1.6270      1.2405
H                1.4614      0.4010      1.0193
H               -1.2800      1.3961     -0.4596
H                0.1858     -0.6840     -2.0087
H               -1.9546     -0.0544     -0.9365
H                1.1491     -1.1071     -1.5012
O                1.0723     -1.5640     -2.1053
12
M19
C                0.4905      0.6636      1.4024
C               -0.3104     -0.1144      0.5077
O               -0.0432     -1.1995      0.6577
C               -1.1747      0.4204     -0.3709
H                0.4558      0.2584      2.4088
H                0.1884      1.6807      1.3535
H                1.5002      0.5754      1.1362
H               -1.3407      1.4150     -0.3755
H                0.1848     -0.6091     -2.1386
H               -1.8230     -0.0943     -1.0154
H                0.9564     -1.3314     -1.4135
O                0.9158     -1.6649     -2.1523
12
M20
C                0.4759      0.7250      1.4611
C               -0.1991     -0.1064      0.4484
O                0.2133     -1.2299      0.4782
C               -1.1196      0.4251     -0.3783
H                0.3951      0.2578      2.4503
H                0.0816      1.7344      1.4664
H                1.5390      0.7499      1.2531
H               -1.4014      1.4339     -0.2914
H                0.1838     -0.5341     -2.2685
H               -1.6915     -0.1341     -1.0942
H                0.7637     -1.5557     -1.3257
O                0.7592     -1.7659     -2.1992
12
M21
C                0.4612      0.7865      1.5198
C               -0.0878     -0.0984      0.3892
O                0.4697     -1.2604      0.2987
C               -1.0645      0.4298     -0.3857
H                0.3343      0.2573      2.4918
H               -0.0252      1.7881      1.5794
H                1.5778      0.9243      1.3700
H               -1.4621      1.4528     -0.2073
H                0.1828     -0.4592     -2.3984
H               -1.5599     -0.1740     -1.1731
H                0.5710     -1.7800     -1.2380
O                0.6027     -1.8668     -2.2462
12
M22
C                0.4453      0.8032      1.5451
C               -0.0545     -0.0714      0.3846
O                0.5414     -1.2146      0.2812
C               -1.0323      0.4420     -0.3967
H                0.3201      0.2464      2.5018
H               -0.0756      1.7862      1.6198
H                1.5590      0.9821      1.4185
H               -1.4653      1.4481     -0.2047
H                0.2066     -0.5832     -2.4694
H               -1.4837     -0.1549     -1.2151
H                0.5348     -1.7785     -1.2300
O                0.5040     -1.9053     -2.2352
12
M23
C                0.4328      0.8180      1.5641
C               -0.0308     -0.0465      0.3812
O                0.5923     -1.1746      0.2672
C               -1.0099      0.4574     -0.4038
H                0.3075      0.2410      2.5088
H               -0.1120      1.7872      1.6490
H                1.5436      1.0250      1.4569
H               -1.4694      1.4495     -0.2011
H                0.2200     -0.7141     -2.5252
H               -1.4287     -0.1334     -1.2437
H                0.5144     -1.7774     -1.2277
O                0.4403     -1.9322     -2.2256
12
M24
C                0.4219      0.8320      1.5798
C               -0.0111     -0.0217      0.3774
O                0.6354     -1.1351      0.2523
C               -0.9928      0.4744     -0.4089
H                0.2922      0.2387      2.5137
H               -0.1401      1.7907      1.6715
H                1.5306      1.0587      1.4923
H               -1.4756      1.4533     -0.1964
H                0.2243     -0.8504     -2.5698
H               -1.3845     -0.1096     -1.2665
H                0.5040     -1.7760     -1.2288
O                0.3957     -1.9549     -2.2168
12
M25
C                0.4123      0.8449      1.5913
C                0.0030      0.0005      0.3741
O                0.6678     -1.1009      0.2401
C               -0.9797      0.4909     -0.4140
H                0.2905      0.2349      2.5155
H               -0.1697      1.7904      1.6939
H                1.5164      1.0960      1.5130
H               -1.4812      1.4588     -0.1945
H                0.2492     -0.9800     -2.5981
H               -1.3470     -0.0876     -1.2859
H                0.4865     -1.7767     -1.2285
O                0.3520     -1.9712     -2.2070
12
M26
C                0.4049      0.8571      1.5991
C                0.0111      0.0200      0.3718
O                0.6882     -1.0727      0.2306
C               -0.9733      0.5066     -0.4165
H                0.2876      0.2360      2.5164
H               -0.1893      1.7942      1.7093
H                1.5059      1.1232      1.5272
H               -1.4865      1.4674     -0.1927
H                0.2718     -1.1085     -2.6168
H               -1.3235     -0.0676     -1.2983
H                0.4755     -1.7741     -1.2298
O                0.3275     -1.9816     -2.2002
