* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/26/01/2008src1280.mol"
Structure: 1
InChI=1/C10H19N6.3ClH.H2O/c11-10(12)15-8-1-2-9(14-7-8)16-5-3-13-4-6-16;;;;/h1-2,7,14-15H,3-6,11-13H2;3*1H;1H2
AuxInfo=1/0/N:16,14,4,7,1,10,19,18,13,21,30,33,23,26,28,22;39;40;41;36/E:(3,4)(5,6)(11,12);;;;/CRV:11.4,13.4,14.4;;;;/rA:41nCHHCHHCHHCHHCCHCHCCHCNN4HHN4HNHN4HHNHHOHHClClCl/rB:s1;s1;s1;s4;s4;;s7;s7;s7;s10;s10;;d13;s14;s14;s16;d16;s18;s19;;s1s10s13;s4s7;s23;s23;s13d19;s26;s18s21;s28;d21;s30;s30;s21;s33;s33;;s36;s36;;;;/rC:-4.3071,-1.8898,.763;-3.3266,-2.0109,.8285;-4.5306,-1.6785,-.1773;-5.0063,-3.1642,1.1791;-4.7575,-3.8973,.5626;-4.7194,-3.4191,2.0924;-6.9381,-1.7976,1.9778;-6.7777,-1.9774,2.9382;-7.9085,-1.6521,1.8458;-6.1704,-.5697,1.5491;-6.4125,-.3411,.6165;-6.425,.1938,2.1261;-3.9831,-.404,2.7099;-2.5892,-.5615,2.7908;-2.1257,-1.0116,2.0943;-1.8961,-.0757,3.8563;-.9555,-.2004,3.9131;-2.5873,.6164,4.8774;-3.9308,.7399,4.8013;-4.4044,1.1982,5.4863;-1.1476,2.2311,5.966;-4.7294,-.781,1.6358;-6.4784,-2.9703,1.1541;-6.8849,-3.7336,1.4681;-6.7481,-2.8463,.2832;-4.6088,.2086,3.7436;-5.487,.2673,3.731;-1.8885,1.1446,6.02;-1.9585,.7221,6.7878;-.961,2.8837,4.8245;-1.3362,2.5901,4.0846;-.4631,3.6086,4.809;-.5639,2.6674,7.0777;-.6745,2.2318,7.833;-.0655,3.3932,7.0565;.0845,1.1789,1.5741;-.6604,1.5613,1.7629;.2851,1.4909,.8092;1.5467,.0584,4.8158;-2.215,.1037,8.917;-5.0114,2.9288,7.6159;