B56PCA -OEChem-04022104553D 42 44 0 1 0 0 0 0 0999 V2000 -0.6857 2.8106 1.8277 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 4.4681 0.4071 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 3.1107 0.5090 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 2.6771 -1.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 0.9241 -0.3997 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 -3.1819 0.2877 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7119 -3.5935 0.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 0.8741 -0.2568 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4096 0.1042 -0.1421 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 -2.7941 0.2278 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4118 2.2953 -0.4523 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1123 2.3553 -0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 0.8923 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0624 3.1918 0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 0.2998 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8337 0.4087 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9959 -1.1949 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0939 -0.9530 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 1.3155 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 -1.6946 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4107 -1.4079 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 0.8606 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4673 -0.5012 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -1.7564 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0325 -2.0986 -1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4074 -2.2221 1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3469 -2.5642 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0343 -2.6260 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5574 2.7498 -1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4823 2.9045 0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 2.5594 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4421 -1.6882 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4871 -1.4403 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 -1.6517 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 2.3821 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 1.5667 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5055 -0.8192 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6164 -1.4427 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -2.0534 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -2.2697 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8354 -2.8782 -2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0578 -2.9884 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 31 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 13 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$