* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/49/01/06skc0003p212121.mol"
Structure: 1
InChI=1/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
AuxInfo=1/1/N:6,2,4,1,10,12/E:(2,3)(5,6)/rA:12nCCHCHCHHHNHN/rB:;s2;d2;s4;s1;s6;s6;s6;s1s2;s10;d1s4;/rC:1.2449,4.2124,4.0108;2.9129,2.9757,4.7134;3.5534,2.5477,5.2686;2.7987,2.8697,3.3654;3.3539,2.3349,2.8112;.0859,5.1386,4.0505;-.0114,5.5764,3.1784;.2331,5.8169,4.7424;-.7282,4.6339,4.255;1.9215,3.8203,5.1086;1.752,4.0681,5.9363;1.7563,3.6564,2.9216;