File: Sotorasib_atrop4.cxsmi.expected3.cxsmi

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
file content (1 line) | stat: -rw-r--r-- 736 bytes parent folder | download | duplicates (8) 
1
 
C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@H](C)C1 |(-4.3106,1.4236,;-3.596,1.0112,;-2.8815,1.4236,;-2.8815,2.2487,;-2.1671,1.0112,;-1.4525,1.4237,;-0.738,1.0113,;-0.7382,0.1862,;-0.0237,-0.2261,;-0.0237,-1.0511,;0.6907,-1.4636,;0.6907,-2.2886,;1.405,-1.0511,;2.1196,-1.4636,;2.1196,-2.2886,;1.405,-2.7011,;2.834,-2.7011,;3.5484,-2.2886,;3.5484,-1.4636,;2.8341,-1.0511,;3.3643,-0.419,;4.1768,-0.5622,;3.0821,0.356,;1.405,-0.226,;2.1558,0.1918,;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,;1.4183,1.4808,;1.415,2.3059,;0.6773,1.0455,;0.6907,0.1863,;-1.4525,-0.2261,;-1.4525,-1.0511,;-2.1671,0.1862,),wD:38.42,wU:12.11|