File: Sotorasib_atrop4.sdf.expected.cxsmi

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FC1=C(C2=C(O)C=CC=C2F)N=C2N(C3=C(C(C)C)N=CC=C3C)C(=O)N=C(N3[C@H](C)CN(C(=O)C=C)CC3)C2=C1 |(1.415,2.3059,;1.4183,1.4808,;2.1624,1.0512,;2.8786,1.461,;2.8816,2.2858,;2.1688,2.7011,;3.5978,2.6956,;4.3106,2.2804,;4.3074,1.4554,;3.5913,1.0457,;3.5882,0.2207,;2.1558,0.1918,;1.405,-0.226,;1.405,-1.0511,;2.1196,-1.4636,;2.8341,-1.0511,;3.3643,-0.419,;4.1768,-0.5622,;3.0821,0.356,;3.5484,-1.4636,;3.5484,-2.2886,;2.834,-2.7011,;2.1196,-2.2886,;1.405,-2.7011,;0.6907,-1.4636,;0.6907,-2.2886,;-0.0237,-1.0511,;-0.0237,-0.2261,;-0.7382,0.1862,;-1.4525,-0.2261,;-1.4525,-1.0511,;-2.1671,0.1862,;-2.1671,1.0112,;-2.8815,1.4236,;-2.8815,2.2487,;-3.596,1.0112,;-4.3106,1.4236,;-1.4525,1.4237,;-0.738,1.0113,;0.6907,0.1863,;0.6773,1.0455,),wD:13.13,29.31|