B7VUJ2 -OEChem-04022106322D 44 45 0 0 0 0 0 0 0999 V2000 5.4641 4.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -4.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -4.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -3.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -4.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -5.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -3.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 -2.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 -2.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 12 1 0 0 0 0 3 14 2 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 36 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 20 3 0 0 0 0 7 24 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$