ChemicalBook -- 52-88-0 -INDIGO-12142506252D 0 0 0 0 0 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 28 29 0 0 0 M V30 BEGIN ATOM M V30 1 C 0.0 6.7986 0.0 0 M V30 2 C 1.1969 8.9467 0.0 0 M V30 3 O 6.5854 6.1601 0.0 0 M V30 4 C 7.9192 6.9301 0.0 0 M V30 5 C 9.2529 6.1601 0.0 0 M V30 6 O 7.9192 8.4701 0.0 0 M V30 7 C 9.2529 4.6201 0.0 0 M V30 8 O 10.5865 3.8501 0.0 0 M V30 9 C 2.4081 6.222 0.0 0 CFG=1 M V30 10 N 1.4085 7.4213 0.0 0 CHG=1 VAL=4 M V30 11 C 3.9997 7.1431 0.0 0 M V30 12 C 2.2318 4.5623 0.0 0 M V30 13 C 2.7438 7.2322 0.0 0 CFG=1 M V30 14 C 5.2517 6.9301 0.0 0 CFG=1 M V30 15 C 2.8906 5.7677 0.0 0 M V30 16 C 4.2506 8.1381 0.0 0 M V30 17 C 10.5865 6.9301 0.0 0 M V30 18 C 10.5865 8.4701 0.0 0 M V30 19 C 11.9202 6.1601 0.0 0 M V30 20 C 11.9202 9.2401 0.0 0 M V30 21 C 13.254 6.9301 0.0 0 M V30 22 C 13.254 8.4701 0.0 0 M V30 23 H 0.9345 5.7749 0.0 0 M V30 24 H 2.4375 8.7414 0.0 0 M V30 25 N 6.627 1.54 0.0 0 VAL=5 M V30 26 O 5.2933 2.3101 0.0 0 M V30 27 O 7.9606 2.3101 0.0 0 M V30 28 O 6.627 0.0 0.0 0 CHG=-1 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 1 10 M V30 2 1 2 10 M V30 3 1 3 4 M V30 4 1 14 3 CFG=1 M V30 5 1 4 5 M V30 6 2 4 6 M V30 7 1 5 7 M V30 8 1 5 17 M V30 9 1 7 8 M V30 10 1 9 10 M V30 11 1 9 11 M V30 12 1 9 12 M V30 13 1 9 23 CFG=3 M V30 14 1 10 13 M V30 15 1 11 14 M V30 16 1 12 15 M V30 17 1 13 15 M V30 18 1 13 16 M V30 19 1 13 24 CFG=1 M V30 20 1 14 16 M V30 21 2 17 18 M V30 22 1 17 19 M V30 23 1 18 20 M V30 24 2 19 21 M V30 25 2 20 22 M V30 26 1 21 22 M V30 27 2 25 26 M V30 28 2 25 27 M V30 29 1 25 28 M V30 END BOND M V30 BEGIN COLLECTION M V30 MDLV30/STERAC1 ATOMS=(3 9 13 14) M V30 END COLLECTION M V30 END CTAB M END