BPB5S2 -OEChem-04042101573D 42 43 0 0 0 0 0 0 0999 V2000 -3.4426 2.8632 -0.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 1.6388 -1.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -3.3894 -0.1752 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 -0.8914 0.5364 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -3.0486 1.7189 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7480 -2.7079 -1.4850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8855 -3.1385 -0.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1004 -2.9838 0.5944 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 2.4065 0.8496 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9298 3.2521 0.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 -2.6766 0.5282 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4315 -2.2457 -0.3635 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3285 3.7604 1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 4.1152 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 0.6256 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 1.2841 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 2.0644 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0908 2.0543 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2341 -0.3473 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -0.0988 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4838 0.2478 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 1.9290 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -1.6980 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 -0.8367 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8781 -2.0757 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 -0.1916 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 -1.1027 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6023 1.1913 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9694 3.8501 2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1727 4.4465 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 5.1408 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 4.0493 -0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 1.7053 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 3.5222 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -0.0842 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -0.6080 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2406 0.9910 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5013 3.0064 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8451 -1.3822 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 1.7076 0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1759 -3.4532 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 -0.2746 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 25 1 0 0 0 0 3 41 1 0 0 0 0 4 26 1 0 0 0 0 4 42 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 33 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 34 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 24 1 0 0 0 0 20 36 1 0 0 0 0 21 27 2 0 0 0 0 21 37 1 0 0 0 0 22 28 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M CHG 4 5 -1 6 -1 11 1 12 1 M END $$$$