File: RP-6306_3d.sdf.expected.cxsmi

package info (click to toggle)
rdkit 202503.1-4
  • links: PTS, VCS
  • area: main
  • in suites: trixie
  • 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: 578; xml: 229; fortran: 183; sh: 105
file content (1 line) | stat: -rw-r--r-- 1,119 bytes parent folder | download | duplicates (8) 
1
 
O(C1=C(C([H])([H])[H])C(N2C3=C(C(C(=O)N([H])[H])=C2N([H])[H])C([H])=C(C([H])([H])[H])C(C([H])([H])[H])=N3)=C(C([H])([H])[H])C([H])=C1[H])[H] |(-2.5955,0.6213,-0.7878;-2.0751,0.4128,-0.1825;-1.2446,0.5433,-0.2606;-0.9243,0.9179,-1.0216;-0.6199,1.4915,-0.8884;-1.398,1.0537,-1.4643;-0.4982,0.5079,-1.3215;-0.722,0.3256,0.3659;0.1116,0.4563,0.2884;0.6473,-0.0911,-0.0297;1.4158,0.2538,-0.0053;1.3268,1.0354,0.3414;1.9495,1.6235,0.4921;2.1517,2.1388,-0.0264;2.3466,1.6069,1.2409;2.2044,1.1964,1.6756;2.7925,2.0089,1.3708;0.5181,1.1432,0.5161;0.123,1.779,0.85;0.4196,2.2899,1.0205;-0.4833,1.7834,0.9484;2.0623,-0.2092,-0.3059;2.6749,0.0287,-0.3023;1.8895,-0.9787,-0.606;2.56,-1.489,-0.9303;2.6153,-2.0514,-0.584;3.1448,-1.1779,-0.8915;2.4578,-1.6321,-1.5694;1.0935,-1.2483,-0.5936;0.8999,-2.0734,-0.9144;1.219,-2.5408,-0.5696;1.0611,-2.1206,-1.5552;0.2505,-2.1991,-0.8639;0.4479,-0.8292,-0.3122;-1.0302,-0.0226,1.0708;-0.4884,-0.2635,1.7548;-0.0497,-0.7195,1.558;-0.831,-0.529,2.257;-0.167,0.2628,1.997;-1.8608,-0.1531,1.1489;-2.1116,-0.4237,1.6937;-2.3833,0.0645,0.5222;-3.029,-0.0406,0.5914;-3.1448,0.4855,-0.6247),wD:7.6|