* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/03/98/01/99ale010.mol"
Structure: 1
InChI=1/C9H10N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6,11-12H,10H2
AuxInfo=1/0/N:9,13,10,12,15,16,8,11,14,5,7,6,3,4,2,1/E:(1,2)(3,4)(13,14)/CRV:11.4,16.6/rA:25nSSOONNN4CCCCCCCCCHHHHHHHHH/rB:;d1;d1;;s1;;s5;s8;d9;s1s10;d11;d8s12;s2s6d7;s7;s2d15;s5;s5;s9;s10;s12;s13;s7;s15;s16;/rC:5.3074,.9225,9.5035;5.9674,2.8478,6.9481;4.4591,.2304,10.4464;5.504,.2769,8.2284;10.5888,1.5634,12.1708;4.7207,2.4013,9.4017;4.9196,4.5251,8.5124;9.3604,1.4165,11.5015;8.2035,1.9543,12.0758;6.9805,1.816,11.4524;6.8908,1.1087,10.2546;8.0278,.5618,9.6847;9.2609,.7069,10.3031;5.1426,3.2077,8.4409;5.3875,5.2688,7.4474;5.9783,4.532,6.5237;11.2828,1.3063,11.6726;10.6873,2.3565,12.4533;8.2725,2.4248,12.8907;6.1997,2.1772,11.8389;7.9694,.0939,8.9161;10.0165,.3757,9.8678;4.5548,4.8752,9.2395;5.2525,6.19,7.4686;6.3651,4.7727,5.7393;