BCR1D2 -OEChem-04042106353D 53 57 0 0 0 0 0 0 0999 V2000 1.9488 -2.6582 -0.3683 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 -0.1696 0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7235 -3.9143 0.3343 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 -2.6729 -1.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 0.3313 2.1946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3719 -0.2321 -1.2555 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6754 -1.5498 0.7312 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8063 -1.2877 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 -0.7454 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6109 -1.8940 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -1.1483 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 -1.9315 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -0.4542 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 -0.7753 -2.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 0.4221 -2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 -1.3757 -1.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5638 -2.3853 1.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 -1.6221 2.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -2.2462 2.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 1.9170 -2.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 -0.3723 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7703 0.8955 0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4565 -0.5119 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3944 2.0237 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5647 1.0740 1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0808 0.6164 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5497 1.8842 -0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5596 2.1364 0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 2.2646 1.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 3.0023 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 3.2585 1.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 3.9962 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 4.1244 0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2673 -0.3519 -3.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 -0.0192 -3.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0996 0.2387 -2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8943 -1.3926 -2.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 -2.8630 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7157 -1.5211 2.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6247 -2.6276 3.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 -1.4073 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 2.3643 -1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7115 2.1450 -2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2984 2.3989 -3.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8995 -1.4886 -0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1441 3.0389 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9886 0.5090 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0603 2.7647 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 1.6014 2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 2.8877 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4044 3.3555 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0459 4.6458 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0526 4.8911 0.1497 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 $$$$