BCR1D2 -OEChem-04022109412D 53 57 0 0 0 0 0 0 0999 V2000 4.6660 0.1748 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 4.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 4.0992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.8252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 4.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 5.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -5.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -5.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 4.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 5.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 3.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -1.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 6.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 6.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 5.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -1.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -2.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -4.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -4.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -5.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -5.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -6.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 5 25 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 21 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 16 1 0 0 0 0 14 16 2 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 49 1 0 0 0 0 30 32 2 0 0 0 0 30 50 1 0 0 0 0 31 33 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 M END $$$$