File: RP-6306_atrop5.cxsmi.expected.cxsmi

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rdkit 202503.1-5
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Oc1ccc(C)c(-n2c3c(c(C(=O)N)c2N)cc(C)c(C)n3)c1C |(2.0992,3.5589,;2.2694,2.7517,;3.0535,2.4954,;3.2236,1.6882,;2.6096,1.1372,;2.7797,0.33,;1.8255,1.3935,;1.0637,0.4452,;0.8122,-0.3353,;-0.0126,-0.3353,;-0.264,0.4452,;-1.0482,0.7015,;-1.6621,0.1505,;-1.2182,1.5087,;0.3998,0.9266,;0.3998,1.7516,;-0.425,-1.0498,;-0.0126,-1.7642,;-0.425,-2.4786,;0.8122,-1.7642,;1.2247,-2.4786,;1.2247,-1.0498,;1.6554,2.2008,;0.8712,2.4571,),wD:7.7,wU:7.14|