* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/30/01/2008src1282.mol"
Structure: 1
InChI=1/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-4-2-3-5-12-11/h2-5H,6-9H2,1H3
AuxInfo=1/0/N:23,5,3,7,1,13,16,10,19,22,9,27,29,28,30/E:(6,7)(8,9)/rA:30nCHCHCHCHCCHHCHHCHHCHHCCHHHNNNO/rB:s1;d1;s3;s3;s5;d5;s7;s7;;s10;s10;s10;s13;s13;;s16;s16;s16;s19;s19;;s22;s23;s23;s23;s1d9;s9s10s19;s13s16s22;d22;/rC:.3419,2.3878,2.6309;.4506,1.6253,2.0733;-.5939,3.3304,2.2486;-1.1114,3.2316,1.458;-.7333,4.4295,3.0843;-1.3704,5.1019,2.8717;.0359,4.5578,4.2119;-.0651,5.3086,4.7849;.977,3.5574,4.5032;1.6009,4.5976,6.649;.9269,4.2135,7.2632;1.2306,5.434,6.2719;2.8742,4.9101,7.4231;3.484,5.4374,6.8486;2.6477,5.4611,8.2141;3.794,2.7482,6.778;4.1848,1.9159,7.1456;4.4439,3.1357,6.1388;2.5058,2.4253,6.0546;2.6969,1.8263,5.2902;1.8899,1.9523,6.6692;4.1215,3.629,9.0879;4.9597,2.4039,9.3938;5.3873,2.5114,10.27;5.6484,2.2988,8.7039;4.3857,1.6103,9.406;1.1067,2.4669,3.724;1.8686,3.6533,5.5693;3.5549,3.6937,7.8615;3.9711,4.5092,9.9278;