BV81NR -OEChem-04022102243D 28 29 0 0 0 0 0 0 0999 V2000 -3.5742 1.3779 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 -2.6655 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3434 1.9443 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4524 -0.8209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2802 -1.0571 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 0.2951 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 1.6004 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 -0.0883 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6987 -0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 -0.3935 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 1.0430 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9367 2.7747 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 -0.2701 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 -0.2700 1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 -1.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 -0.6337 -1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 -0.6339 1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3642 -1.7493 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 2.9351 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7638 3.3940 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 3.3935 -0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9938 2.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -0.1361 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -0.1361 2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -0.7887 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -0.7890 2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0351 -1.7358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -0.0876 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 19 1 0 0 0 0 4 16 2 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$