File: AtropTest.sdf.expected.cxsmi

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C12=CC(CN)=CC=C1N(CCCCCCCC)C(C1=C(C(C)(O)C)N=CC(P3CCSCC3)=C1)=C2CCC |(2.0173,4.0343,;3.3517,4.8049,;4.6871,4.0343,;6.1895,4.4369,;7.2892,5.5366,;4.6871,2.4943,;3.3517,1.7236,;2.0173,2.4943,;0.5516,2.018,;0.0747,0.5518,;-0.703,-0.7952,;0.0747,-2.1421,;-0.703,-3.4892,;0.0747,-4.8361,;-0.703,-6.183,;0.0747,-7.5301,;-0.703,-8.877,;-0.3546,3.2648,;-1.8948,3.2648,;-2.6654,4.5994,;-1.8948,5.934,;-0.3546,5.934,;-2.2973,7.4363,;-0.3394,5.934,;-4.2066,4.5994,;-4.9773,3.2648,;-4.2066,1.9291,;-4.9773,0.5947,;-6.5187,0.5947,;-7.2892,-0.74,;-6.5187,-2.0746,;-4.9773,-2.0746,;-4.2066,-0.74,;-2.6654,1.9291,;0.5516,4.5105,;0.5029,6.1908,;1.5353,7.3358,;1.5353,8.877,),wU:17.17,20.21|