-ISIS- 06189713122D 27 29 0 0 0 0 0 0 0 0999 V2000 2.3382 -1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0486 -2.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -1.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -0.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 -1.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1792 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -1.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5958 -1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 -1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -2.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4729 -2.3587 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4731 -3.1819 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1894 -1.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 0.1119 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7549 0.5269 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3260 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 3 4 2 0 0 0 0 14 15 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 16 15 1 0 0 0 0 4 5 1 0 0 0 0 15 19 1 0 0 0 0 7 10 1 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 20 21 2 0 0 0 0 20 1 1 0 0 0 0 3 22 1 0 0 0 0 5 25 1 0 0 0 0 10 11 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 12 9 1 0 0 0 0 6 1 1 0 0 0 0 8 13 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 G 22 3 NO2 G 25 5 NO2 M CHG 4 22 1 23 -1 25 1 26 -1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 22 23 24 M SBL 1 1 18 M SMT 1 NO2 M SBV 1 18 -0.7200 0.4100 M SAL 2 3 25 26 27 M SBL 2 1 19 M SMT 2 NO2 M SBV 2 19 0.0000 -0.8300 M END