* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/12/06/01/97SRC194.mol"
Structure: 1
InChI=1/C6H8N2.C4H2Cl2N2/c1-5-3-6(2)8-4-7-5;5-3-1-2-4(6)8-7-3/h3-4H,1-2H3;1-2H
AuxInfo=1/0/N:15,16,10,12,13,7,5,4;9,14,8,11,1,2,3,6/E:(1,2)(5,6)(7,8);(1,2)(3,4)(5,6)(7,8)/rA:24nClClNNNNCCCCCCCCCCHHHHHHHH/rB:;;;;s3;d4;s1d3;s8;s7;s2d6;s4d5;s5d10;d9s11;s13;s7;s10;s9;s14;s15;s15;s16;s16;s15;/rC:.5691,7.5961,2.4732;1.1614,13.2393,.2776;.2791,10.1548,2.4095;.8452,14.688,-1.8139;.2588,12.3816,-2.1223;.3752,11.3914,1.87;.5003,14.9453,-3.0722;.7028,9.1334,1.695;1.2428,9.2161,.4218;.0383,13.9348,-3.9099;.9189,11.5318,.6709;.6991,13.4202,-1.4243;-.0788,12.6608,-3.3998;1.3527,10.462,-.1157;-.5813,11.5053,-4.2022;.6254,16.3565,-3.5528;-.2097,14.1282,-4.7476;1.4894,8.4364,-.0157;1.7424,10.6039,-.9417;-1.3954,11.1653,-3.8059;-.6218,11.7579,-5.0222;1.2002,16.592,-3.3939;.0217,16.6856,-3.3154;.0217,10.6351,-4.1394;