* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/08/21/01/94src332.mol"
Structure: 1
InChI=1/C14H9ClO7/c1-5(16)21-10-4-9(19)11-12(14(10)22-6(2)17)8(18)3-7(15)13(11)20/h3-4,19H,1-2H3
AuxInfo=1/0/N:9,28,18,7,17,27,21,24,16,23,20,15,22,25,1,6,26,13,4,14,3,2/rA:31nClOOOHOCHCHHHOOCCCCHCCCCCCOCCHHH/rB:;;;s4;;;s7;;s9;s9;s9;;;;s4s7;s3d6s9;;s18;s15d16;s1d18;d14s20s21;s3d7;d13s15s18;s2d15s23;;s2d26;s27;s28;s28;s28;/rC:13.4687,-.9279,7.0975;10.1062,3.7645,3.2205;7.4971,3.1553,3.1656;8.1575,-.6924,5.8516;8.7558,-1.1533,6.2193;7.5306,1.9588,1.3229;7.8635,1.1609,4.4479;6.9407,.9421,4.3916;6.4739,4.124,1.3031;7.1133,4.8249,1.0579;5.8384,4.477,1.9604;5.9882,3.8307,.504;12.5567,3.089,4.1375;10.569,-1.2097,6.6633;10.6154,1.7889,4.5598;8.7328,.3613,5.1938;7.2019,2.9741,1.8882;12.9287,1.1922,5.4496;13.8611,1.3665,5.5021;10.0919,.6428,5.2635;12.41,.1369,6.0803;10.9929,-.2046,6.0551;8.3531,2.2638,3.7978;12.0593,2.0811,4.6764;9.7332,2.5826,3.861;11.1115,2.662,1.5482;10.8266,3.6577,2.0506;11.2188,5.0463,1.6246;11.9198,5.3848,2.2199;10.4372,5.6355,1.6722;11.5548,5.023,.7043;