Git #512 - Error parse Data-S-Group | da23a7d, d669c6c Ketcher 6221712572D 1 1.00000 0.00000 0 16 16 0 0 0 999 V2000 0.9789 1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 3.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 3.9989 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5404 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9363 3.5773 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8577 0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7199 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 0.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4193 0.1072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 1.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2445 0.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2148 1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 M STY 1 1 DAT M SLB 1 1 1 M SAL 1 1 12 M SDT 1 MDLBG_STEREO_KEY F M SDD 1 3.4690 0.0973 DA ALL 1 5 M SED 1 S M STY 1 2 DAT M SLB 1 2 2 M SAL 2 2 10 12 M SDT 2 MDLBG_LIGAND_SITE F M SDD 2 2.8945 0.2013 DA ALL 1 5 M SED 2 L1+ M STY 1 3 DAT M SLB 1 3 3 M SAL 3 2 12 13 M SDT 3 MDLBG_LIGAND_SITE F M SDD 3 3.7441 0.2322 DA ALL 1 5 M SED 3 L2- M STY 1 4 DAT M SLB 1 4 4 M SAL 4 2 12 14 M SDT 4 MDLBG_LIGAND_SITE F M SDD 4 3.3113 0.9450 DA ALL 1 5 M SED 4 L3- M END