B7LJK9 -OEChem-04012119532D 42 43 0 0 0 0 0 0 0999 V2000 4.5981 0.7306 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 2.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8011 3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1831 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 1.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0328 2.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 2.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3908 3.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 4.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 3.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 1.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 0.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7728 1.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -4.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 13 2 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$