B53WYP -OEChem-04022109262D 51 55 0 1 0 0 0 0 0999 V2000 4.3192 1.0765 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9468 0.4841 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.6292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -1.4953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.3613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8441 0.3361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4783 2.8982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 0.2368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1200 0.2368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6200 1.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4860 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 0.3708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3520 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9501 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9501 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8441 2.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7501 1.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7501 0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6142 2.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8562 0.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3838 0.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 1.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 1.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1741 0.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -0.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -2.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 0.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -3.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 -0.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 0.9784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 0.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 -2.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 2.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6075 1.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4826 2.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 2.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8369 3.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2859 0.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 13 1 0 0 0 0 5 16 2 0 0 0 0 6 16 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 19 1 0 0 0 0 20 7 1 6 0 0 0 7 42 1 0 0 0 0 8 25 1 0 0 0 0 8 30 2 0 0 0 0 9 31 3 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 1 0 0 0 11 12 1 0 0 0 0 11 33 1 1 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 6 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$