B5JS6N -OEChem-04012115322D 42 42 0 0 0 0 0 0 0999 V2000 5.0981 -0.8924 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.3677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 -5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3477 -3.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -2.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -1.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 -2.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 -2.9779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 -3.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -4.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -3.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 0.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 3.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.0388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 4.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 5.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 -4.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7838 -5.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -5.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -0.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 0.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 16 2 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 2 0 0 0 0 9 17 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$