* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/07/26/01/01SRC912.mol"
Structure: 1
InChI=1/C10H17N3.ClHO.Fe.3H2O/c1-12-7-8-13(2)10-6-4-3-5-9(10)11;1-2;;;;/h3-6,12H,7-8,11H2,1-2H3;2H;;3*1H2
AuxInfo=1/0/N:25,16,11,9,13,7,22,19,15,6,28,32,31;5,3;34;1;2;4/rA:34nOOOOClCCHCHCHCHCCHHCHHCHHCHHN4HHN4N4HFe/rB:;;;s3;;d6;s7;s7;s9;d9;s11;s11;s13;s6d13;;s16;s16;;s19;s19;s19;s22;s22;;s25;s25;s15;s28;s28;s6s16s19;s22s25;s32;s28s31s32;/rC:9.8777,2.5144,1.3246;11.2192,2.2682,3.1914;11.4831,4.1234,1.8334;9.5219,3.8814,3.1628;10.5531,3.2348,2.3716;6.7284,-.2155,.9791;6.4121,-.7527,-.2639;6.3835,-1.6951,-.3803;6.1396,.0825,-1.3291;5.9153,-.2855,-2.1757;6.1934,1.464,-1.1632;6.0116,2.0377,-1.8983;6.5102,2,.0666;6.5488,2.9425,.1795;6.7726,1.1597,1.1395;5.807,-1.7714,2.5968;6.0578,-2.5833,3.1047;5.2672,-2.0493,1.8148;8.1576,-1.9917,1.8555;7.9995,-2.4616,.9986;8.2236,-2.6695,2.5741;9.4434,-1.1983,1.7774;10.2106,-1.8225,1.7332;9.4432,-.6562,.949;10.449,-.8508,4.0477;10.8106,-.108,4.5932;11.2126,-1.3474,3.6599;7.1199,1.6634,2.434;6.3914,2.1011,2.7863;7.7968,2.2793,2.3399;7.033,-1.0647,2.1378;9.6076,-.2996,2.9533;10.0101,.484,2.6554;7.7249,.214,3.7599;