* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/04/40/01/06skc0036p21c.mol"
Structure: 1
InChI=1/C4H10NO.CH2O2/c1-3-6-4-2-5-1;2-1-3/h1-5H2;1H,(H,2,3)
AuxInfo=1/1/N:7,10,4,13,16,19;1,2,3/E:(1,2)(3,4);(2,3)/CRV:5.4;/rA:19nCOOCHHCHHCHHCHHN4HHO/rB:d1;s1;;s4;s4;s4;s7;s7;;s10;s10;s10;s13;s13;s7s10;s16;s16;s4s13;/rC:6.7909,.5302,10.7845;5.967,.9497,9.9578;6.8674,.8878,11.9934;9.1991,1.7583,14.4677;9.0827,2.0673,13.5342;9.0718,2.5373,15.0659;8.1592,.7116,14.7819;8.2225,.4517,15.7351;7.2543,1.0788,14.6193;9.7655,-.9872,14.063;9.9156,-1.7314,13.4275;9.9026,-1.3315,14.9814;10.7406,.1276,13.7838;11.6642,-.2055,13.9131;10.6494,.4131,12.8406;8.3827,-.4752,13.9204;7.7871,-1.1371,14.1506;8.2297,-.2481,13.0422;10.5219,1.2443,14.6342;