* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/16/01/07skc0031p21.mol"
Structure: 1
InChI=1/C5H9N2.C4H6O6/c1-5-6-3-4-7(5)2;5-1(3(7)8)2(6)4(9)10/h3-4,6H,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1
AuxInfo=1/1/N:25,21,17,19,16,30,29;2,4,1,6,10,12,7,8,14,15/E:;(1,2)(3,4)(5,6)(7,8,9,10)/gE:;(1,2)/it:;im/CRV:6.4;/rA:31nCCHCHCOOHOHOHOOCCHCHCHHHCHHHNN4H/rB:s1;s2;s2;s4;s4;d1;s1;s8;s2;s10;s4;s12;s6;d6;;;s17;d17;s19;;s21;s21;s21;s16;s25;s25;s25;s16s19s21;d16s17;s30;/rC:3.5434,1.3392,1.5809;2.1009,1.0769,1.1651;2.0957,.5043,.3452;1.3947,2.3993,.8566;1.8895,2.8698,.126;-.0319,2.1216,.3916;3.9533,1.1751,2.712;4.2764,1.7475,.5619;5.0769,1.8223,.805;1.4491,.3849,2.2186;.9379,-.1984,1.8963;1.4395,3.2035,2.0438;1.1538,3.9742,1.8708;-.9523,2.1603,1.2578;-.1751,1.8544,-.838;.7062,1.7637,5.4228;-1.3556,1.8382,4.6174;-2.0793,1.8954,4.0046;-1.4418,1.6803,5.9388;-2.2413,1.6162,6.4479;.2159,1.4118,7.8292;.9459,.76,7.8801;-.5609,1.0715,8.3203;.5069,2.2597,8.2251;2.1779,1.7746,5.5436;2.4664,2.6205,5.9456;2.5793,1.6818,4.6544;2.4646,1.0288,6.111;-.1484,1.6271,6.4301;-.0128,1.9022,4.3134;.3187,2.0174,3.5064;