* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/06/32/01/06skc0010p212121.mol"
Structure: 1
InChI=1/C7H9N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3,(H,10,11)
AuxInfo=1/1/N:10,6,8,4,2,1,3,14,15,16,17/E:(10,11)/CRV:9.4/rA:19nCCCCHCHCHCHHHNN4OOHH/rB:d1;s2;d3;s4;s4;s6;s1d6;s8;s2;s10;s10;s10;s1;s3;d15;s15;s14;s14;/rC:-.1027,5.3649,6.2947;.3386,6.1844,5.2477;.2321,7.5545,5.4508;-.2092,8.1195,6.6417;-.2321,9.0623,6.7541;-.6049,7.2844,7.6455;-.9187,7.6506,8.4635;-.5592,5.9208,7.4842;-.8411,5.3532,8.1913;.9168,5.5766,4.0006;1.3479,6.2766,3.4663;.2031,5.1584,3.4778;1.5826,4.9,4.2469;-.0038,3.974,6.1665;.544,8.5013,4.3909;.1408,8.2454,3.2561;1.1797,9.5182,4.6861;-.4565,3.5455,6.7685;0,3.6104,5.3572;