* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/76/01/2007may0018.mol"
Structure: 1
InChI=1/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3
AuxInfo=1/0/N:14,9,11,3,1,6,5,8,13,19,18/rA:21nCHCHCCHCCHCHCCHHHNNHH/rB:s1;d1;s3;s3;s5;s6;d6;s8;s9;d9;s11;d5s11;;s14;s14;s14;s1s13s14;s8;s19;s19;/rC:1.6344,11.6583,2.4909;.9342,12.2768,2.3183;2.2785,11.5127,3.6978;2.1064,12.0009,4.4944;3.2617,10.48,3.521;4.201,9.8737,4.3714;4.2798,10.1514,5.2765;5.0118,8.8651,3.8739;4.9033,8.4701,2.5249;5.4727,7.7841,2.1967;3.9929,9.0528,1.6698;3.9335,8.7836,.7607;3.1605,10.051,2.1807;1.819,10.7465,.1607;.9778,11.2269,.0123;1.7195,9.816,-.1302;2.5349,11.1748,-.3535;2.1518,10.7788,1.5727;5.9015,8.1867,4.74;6.2609,8.7582,5.369;6.6087,7.8398,4.3246;