B2O9LM -OEChem-04022118083D 40 42 0 0 0 0 0 0 0999 V2000 -3.2749 -0.1433 2.0495 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 -2.2928 -0.6370 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 3.0937 -2.1134 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2077 1.7503 -2.8199 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8612 -3.5474 -1.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7237 -2.8995 -1.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3076 -1.2885 0.6387 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3016 2.4756 -1.9314 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5363 -1.9635 0.1716 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 2.0448 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5018 1.3141 1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9705 -1.0051 0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5588 1.9225 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 -1.0922 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 2.8452 1.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3608 2.6005 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 3.5232 1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1863 3.4008 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 -2.0062 1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5772 0.0775 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -2.1086 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 -1.2507 0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 -1.9244 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9683 0.1593 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 -0.8417 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 -2.8435 -0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2035 1.9894 1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 1.0350 0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 1.2922 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -0.1072 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 -1.3741 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1609 2.9514 2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 4.1465 2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1182 3.9428 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2951 -2.8540 1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 0.8642 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 -2.7035 1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 1.0022 -0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 -0.7779 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3436 -3.5292 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 14 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 26 2 0 0 0 0 6 21 1 0 0 0 0 6 26 1 0 0 0 0 6 40 1 0 0 0 0 7 21 2 0 0 0 0 7 22 1 0 0 0 0 8 16 1 0 0 0 0 9 22 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$