BL3BO4 -OEChem-04022117583D 57 61 0 1 0 0 0 0 0999 V2000 3.6913 1.3119 1.1703 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 -3.4529 1.2868 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5441 -2.0582 -0.5816 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3765 1.7883 -0.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 1.8317 2.4773 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 3.0471 -2.5913 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 3.0031 -1.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7766 -0.3937 1.2122 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.0804 2.1843 0.2626 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3554 -1.4554 1.2676 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 0.1969 -0.1023 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8475 -1.0724 0.0783 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6103 -1.2703 0.3143 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6997 -2.3218 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 -1.1822 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 -1.7035 -0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 1.5529 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 2.0382 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 1.2544 2.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 2.2061 -0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 1.9163 0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 1.4352 1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 2.6866 -1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 -1.8436 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1238 2.6581 -1.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 1.9909 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 0.5963 0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 -1.9159 -2.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -1.5528 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 -0.4449 1.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -1.6974 -3.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 -1.3344 -2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3794 -1.4066 -3.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5622 -2.7962 1.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 -3.7961 1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5818 -0.8074 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 -2.7484 1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 -3.1307 1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -1.4207 3.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 -0.6887 2.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3771 -2.5642 -1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8995 -0.8628 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1465 2.2736 -1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 0.8734 2.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9524 1.1982 2.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 2.2445 2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 2.6877 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9082 -2.1685 -3.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -1.4957 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 -0.5485 2.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1824 -1.7600 -4.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7259 -1.1066 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 -1.2370 -4.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6156 -3.0517 1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3633 -2.7908 2.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 -4.8040 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8072 -3.8111 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 35 1 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 6 23 2 0 0 0 0 7 25 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 21 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 19 22 2 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 23 25 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 48 1 0 0 0 0 29 32 2 0 0 0 0 29 49 1 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 34 35 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 M END $$$$