B51PNA -OEChem-04042104153D 52 54 0 0 0 0 0 0 0999 V2000 -8.0741 2.5633 -1.7138 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 -0.6046 2.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 1.2701 -2.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 3.7857 1.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 -0.5437 -0.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2601 -2.0793 0.8905 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2128 -2.9993 -0.1162 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6553 -0.7081 0.9166 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 -1.1061 1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1731 -1.7878 0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 0.1716 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 -1.4345 1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2179 -2.6877 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -1.8139 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 -3.2840 -0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 1.4008 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2963 0.1275 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5861 1.3127 -1.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 2.5859 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 2.5419 -0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3728 -0.9476 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9924 -4.3015 -1.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6814 0.0515 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4567 0.6622 -0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9173 0.1893 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 -0.0201 -3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8107 3.7577 2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 1.4109 -1.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9285 0.9381 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7039 1.5489 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -1.7745 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3064 -0.9272 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1405 -2.9894 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 -2.7686 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5343 -1.2988 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9549 1.3786 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -0.8527 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5143 3.4656 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 -5.2499 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0141 -4.4685 -2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 -3.9482 -2.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -1.1200 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5282 0.6012 -1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1054 -0.2815 1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1729 -0.5616 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5212 -0.5979 -3.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8902 0.1343 -4.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.3089 3.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8277 3.2749 2.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 4.7973 2.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2779 1.8810 -2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8858 1.0358 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 12 2 0 0 0 0 3 18 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 15 2 0 0 0 0 8 21 1 0 0 0 0 8 23 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 21 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 20 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 25 29 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$