-ISIS- 12011016102D 20 21 0 0 0 0 0 0 0 0999 V2000 4.2855 -7.1494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 -6.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 -5.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6196 -5.9954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 -6.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 -7.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 -6.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3386 -5.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 -5.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3264 -6.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 -6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5714 -5.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1614 -5.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 -5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6632 -5.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8357 -5.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -4.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3958 -5.8208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8110 -6.5331 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8051 -5.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 4 5 2 0 0 0 0 9 14 1 0 0 0 0 2 7 1 0 0 0 0 14 15 2 0 0 0 0 2 3 2 0 0 0 0 15 16 1 0 0 0 0 16 3 1 0 0 0 0 1 2 1 0 0 0 0 16 17 2 0 0 0 0 12 18 1 0 0 0 0 8 9 2 0 0 0 0 3 4 1 0 0 0 0 9 10 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 G 18 12 NO2 M CHG 2 18 1 19 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 18 19 20 M SBL 1 1 16 M SMT 1 NO2 M SBV 1 16 -0.8200 0.0000 M END