B9P2AF -OEChem-04022101072D 42 42 0 0 0 0 0 0 0999 V2000 9.8968 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1942 -0.9945 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6289 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 -2.1160 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7628 3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.4949 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5068 2.6133 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 2.1065 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 1.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8968 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8968 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4949 -2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1289 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1289 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 -0.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0308 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2987 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 -0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7628 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3852 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7628 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0308 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3148 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2161 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1338 -1.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7325 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1392 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 1.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2998 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4938 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 1.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3859 -1.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 0.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 -1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 1 13 2 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 29 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 3 16 2 0 0 0 0 3 23 1 0 0 0 0 4 29 2 0 0 0 0 7 34 1 0 0 0 0 8 34 1 0 0 0 0 9 34 1 0 0 0 0 10 24 2 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 28 1 0 0 0 0 21 31 2 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 25 36 1 0 0 0 0 26 27 2 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 28 30 2 0 0 0 0 28 39 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 40 1 0 0 0 0 32 33 2 0 0 0 0 32 41 1 0 0 0 0 33 42 1 0 0 0 0 M CHG 4 5 1 6 1 11 -1 14 -1 M END $$$$