BJRA57 -OEChem-04022115363D 35 37 0 1 0 0 0 0 0999 V2000 -1.6309 1.8238 0.1653 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6066 1.2575 0.3419 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 -0.4281 -0.1149 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 -0.1960 -0.4604 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4286 0.4427 0.6504 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4771 -1.0446 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1614 -0.2566 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 -1.4853 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.9150 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1157 -1.5421 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0338 0.8584 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.3702 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 0.6263 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 0.2560 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3183 1.1763 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 -1.0204 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6669 0.8201 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0735 -1.3766 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0444 -0.4563 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 -0.0723 -1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 0.7894 1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9906 -1.6574 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 -1.4872 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2349 1.2813 1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 2.2231 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0676 -2.4058 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 1.8788 -0.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6183 -2.5060 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5338 1.8070 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -1.3664 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0461 2.1744 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 -1.7578 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 1.5362 -0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -2.3672 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0944 -0.7331 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 5 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 30 1 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 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$