File: BMS-986142_atrop4.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-- 774 bytes parent folder | download | duplicates (4) 
1
 
FC1=C(C2=CC=CC(N3C(=O)C4=C(N(C)C3=O)C(F)=CC=C4)=C2C)C2=C(NC3=C2CC[C@H](C(O)(C)C)C3)C(C(=O)N)=C1 |(1.5201,0.661,;0.8072,1.0763,;0.0597,0.6523,;0.0502,-0.1724,;-0.6688,-0.5767,;-0.6783,-1.4015,;0.0311,-1.8223,;0.7503,-1.418,;1.7725,-1.7496,;2.3791,-1.1905,;2.1983,-0.3856,;3.1666,-1.4364,;3.3474,-2.2413,;2.7407,-2.8003,;2.9216,-3.6053,;1.9533,-2.5545,;1.3466,-3.1136,;4.1637,-2.5099,;4.3352,-3.317,;4.8001,-1.9326,;4.6117,-1.0941,;3.7894,-0.8443,;0.7599,-0.5931,;1.479,-0.1889,;-0.6775,1.0934,;-0.6775,1.9185,;-1.4621,2.1734,;-1.9471,1.5059,;-1.4621,0.8385,;-1.7995,0.0482,;-2.6534,-0.048,;-3.1585,0.647,;-3.9793,0.5639,;-4.8001,0.4808,;-4.0624,1.3846,;-3.8962,-0.2568,;-2.803,1.4293,;0.0598,2.3595,;0.0502,3.1844,;-0.6687,3.5887,;0.7599,3.6053,;0.8073,1.9356,),wD:7.6,31.35|