D04RAW -OEChem-10101305022D 46 50 0 0 0 0 0 0 0999 V2000 2.0000 -0.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -1.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3408 -0.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1894 -2.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9652 -2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1613 -3.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9612 -3.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0532 -3.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.6169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 3.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6132 -0.4339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8074 -0.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 2.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7887 -2.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5021 -1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6173 -3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4957 -3.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0436 -4.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 13 2 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 16 22 1 0 0 0 0 16 37 1 0 0 0 0 17 22 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$