BS12NZ -OEChem-04012113122D 48 51 0 0 0 0 0 0 0999 V2000 8.9073 0.1488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8779 2.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9073 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 1.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 1.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8560 2.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 0.2420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6869 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8948 0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3505 1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3704 1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 -1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5044 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 0.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -3.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -1.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2884 0.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0237 -0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5013 0.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2857 1.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9672 1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4154 2.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 2.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 0.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 5 25 1 0 0 0 0 5 28 1 0 0 0 0 6 14 1 0 0 0 0 6 30 1 0 0 0 0 7 23 2 0 0 0 0 8 25 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 19 1 0 0 0 0 12 31 1 0 0 0 0 13 20 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 15 21 1 0 0 0 0 15 33 1 0 0 0 0 16 22 2 0 0 0 0 16 34 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$