File: RP-6306_atrop4.cxsmi.expected3.cxsmi

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Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-0.425,-2.4786,;-0.0126,-1.7642,;-0.425,-1.0498,;-0.0126,-0.3353,;-0.264,0.4452,;-1.0482,0.7015,;-1.2182,1.5087,;-1.6621,0.1505,;0.3998,0.9266,;0.3998,1.7516,;1.0637,0.4452,;1.8255,1.3935,;2.6096,1.1372,;2.7797,0.33,;3.2236,1.6882,;3.0535,2.4954,;2.2694,2.7517,;2.0992,3.5589,;1.6554,2.2008,;0.8712,2.4571,;0.8122,-0.3353,;1.2247,-1.0498,;0.8122,-1.7642,;1.2247,-2.4786,),wU:11.11|