B61DOE -OEChem-04012116532D 46 48 0 1 0 0 0 0 0999 V2000 6.3981 -2.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.4827 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9962 1.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.9827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 3.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 3.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 3.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 1.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 -3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0181 -3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 2 21 2 0 0 0 0 3 5 1 0 0 0 0 3 46 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 21 1 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 15 2 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 21 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 22 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$