c8isoqui.xyz

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c8isoqui il.ff
NAQ       -0.74629       -0.51020        0.00043
CA        -1.95481       -1.15466       -0.00308
CAQ       -3.15854       -0.43564       -0.00083
CA        -4.39779       -1.09509       -0.00359
CA        -5.58454       -0.35533       -0.00142
CA        -5.54213        1.04189        0.00324
CA        -4.31296        1.70746        0.00609
CAQ       -3.11682        0.97350        0.00431
CA        -1.87995        1.61895        0.00770
CA        -0.70617        0.86397        0.00611
HAP       -1.98773       -2.23971       -0.00736
HA        -4.44861       -2.17730       -0.00725
HA        -6.53897       -0.86563       -0.00341
HA        -6.46327        1.61020        0.00475
HA        -4.29698        2.79094        0.00978
HAP       -1.81785        2.70088        0.01165
HAP        0.22509        1.41034        0.00896
C1A        0.46484       -1.36195       -0.00281
H1         0.43803       -2.02021        0.89416
H1         0.44206       -2.00635       -0.90987
C2         1.79770       -0.59371        0.00785
CS         3.00029       -1.54483       -0.00250
CS         4.30960       -0.74682        0.01501
CS         5.53292       -1.66923       -0.00782
CS         6.82722       -0.84678        0.01317
CS         8.06233       -1.75267       -0.01912
CT         9.34618       -0.92767        0.00340
HC         1.84843        0.03405        0.92471
HC         1.85303        0.05456       -0.89429
HC         2.96344       -2.17594       -0.91782
HC         2.95902       -2.20613        0.89105
HC         4.34170       -0.11972        0.93353
HC         4.34202       -0.07913       -0.87439
HC         5.50606       -2.29208       -0.92913
HC         5.50719       -2.33974        0.87943
HC         6.85165       -0.22658        0.93661
HC         6.84686       -0.17177       -0.87109
HC         8.04829       -2.37042       -0.94348
HC         8.05395       -2.42902        0.86326
HC         9.38877       -0.25534       -0.88008
HC        10.22549       -1.60494       -0.02251
HC         9.39547       -0.31568        0.92934