* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/09/40/01/02src171.mol"
Structure: 1
InChI=1/C18H20N4O2/c1-2-24-18(23)16-14(10-19)15(11-20)17-21(8-9-22(16)17)12-13-6-4-3-5-7-13/h3-7,14-17H,2,8-9,12H2,1H3/t14-,15-,16+,17+/m1/s1
AuxInfo=1/0/N:41,14,37,20,39,12,29,34,9,7,26,31,8,22,27,24,17,5,19,6,4,2,3,1/E:(4,5)(6,7)/it:im/rA:44nONONCNCCCHHCHCHHCHNCHCHCHCCHCHCHHCHHCHCHCHHH/rB:;;;s1d3;;;;s2;s9;s9;d8;s12;s1;s14;s14;s2s4;s17;t7;s12;s20;s7;s22;s2s5s22;s24;t6;s17s22s26;s27;s8;s29;s4s8;s31;s31;s4s9;s34;s34;d20;s37;d29s37;s39;s14;s41;s41;s41;/rC:1.6095,4.6137,.8313;1.6886,4.2051,-2.6786;2.0549,6.2003,-.6941;2.9375,3.8689,-4.6179;1.9175,5.0411,-.3844;6.3154,4.2121,-3.6933;4.4285,3.703,-.2552;3.7428,3.5137,-6.8926;1.1384,3.0646,-3.4328;.1506,3.0379,-3.3721;1.5072,2.2065,-3.1045;3.1141,3.6087,-8.123;2.545,4.3482,-8.3015;1.5335,5.6327,1.8745;.8021,6.2703,1.6783;2.3846,6.136,1.9248;2.8136,4.7475,-3.4656;2.6194,5.6842,-3.757;5.0027,3.8084,.7281;3.302,2.6428,-9.0969;2.8661,2.7224,-9.9372;3.6611,3.6299,-1.4975;3.7992,2.7304,-1.9119;2.14,3.8804,-1.334;1.6817,3.0576,-.9977;5.3102,4.4303,-3.1924;4.0447,4.7143,-2.5187;4.1169,5.5936,-2.048;4.5861,2.4358,-6.6604;5.0402,2.3631,-5.8291;3.4928,4.5282,-5.8075;4.342,4.9794,-5.5719;2.8588,5.2149,-6.1338;1.5898,3.3487,-4.8384;1.6055,2.5246,-5.3867;1.0096,4.0212,-5.2756;4.1234,1.5653,-8.8438;4.2434,.8927,-9.5038;4.7704,1.4659,-7.6306;5.345,.729,-7.4598;1.2734,4.9293,3.1609;.4054,4.4767,3.1161;1.2649,5.5804,3.8933;1.9789,4.2679,3.32;