-ISIS- 06189713142D 41 44 0 0 0 0 0 0 0 0999 V2000 -2.3424 -2.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 -2.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 -2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7644 -1.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3419 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5417 -3.0792 0.0000 O 0 0 0 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 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 0.7458 -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 -4.4771 -2.4545 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4773 -3.2777 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1936 -2.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0472 0.0160 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7591 0.4311 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3302 0.4274 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 4 5 1 0 0 0 0 17 22 1 0 0 0 0 2 3 1 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 23 24 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 25 26 1 0 0 0 0 17 26 1 0 0 0 0 26 9 1 0 0 0 0 25 24 1 0 0 0 0 6 1 1 0 0 0 0 24 27 1 0 0 0 0 12 13 2 0 0 0 0 27 28 1 0 0 0 0 1 2 2 0 0 0 0 28 29 2 0 0 0 0 28 10 1 0 0 0 0 12 36 1 0 0 0 0 14 39 1 0 0 0 0 13 14 1 0 0 0 0 9 7 1 0 0 0 0 14 15 2 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 15 10 1 0 0 0 0 3 4 2 0 0 0 0 7 8 2 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 16 17 1 0 0 0 0 7 1 1 0 0 0 0 17 18 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 3 30 1 0 0 0 0 16 19 1 0 0 0 0 5 33 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 G 30 3 NO2 G 36 12 NO2 G 33 5 NO2 G 39 14 NO2 M CHG 8 30 1 31 -1 33 1 34 -1 36 1 37 -1 39 1 40 -1 M STY 4 1 SUP 2 SUP 3 SUP 4 SUP M SLB 4 1 1 2 2 3 3 4 4 M SAL 1 3 30 31 32 M SBL 1 1 40 M SMT 1 NO2 M SBV 1 40 0.7100 0.4200 M SAL 2 3 36 37 38 M SBL 2 1 23 M SMT 2 NO2 M SBV 2 23 -0.7200 0.4100 M SAL 3 3 33 34 35 M SBL 3 1 42 M SMT 3 NO2 M SBV 3 42 0.0000 -0.8200 M SAL 4 3 39 40 41 M SBL 4 1 24 M SMT 4 NO2 M SBV 4 24 0.0000 -0.8300 M END