BRX4U1 -OEChem-04012117102D 40 40 0 1 0 0 0 0 0999 V2000 4.7770 0.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 1.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7985 3.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.9515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 1.8994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5812 -0.9839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7402 -2.2711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 -2.6312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 1.5393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3090 2.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 2.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 1.5904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4712 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 2.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 -0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 -1.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 0.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 3.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 3.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 1.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 2.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 2.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 0.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5086 0.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0106 -0.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5439 -1.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 2.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8691 -2.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2009 -1.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1749 -3.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4563 -2.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 17 1 0 0 0 0 2 36 1 0 0 0 0 3 17 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 27 1 0 0 0 0 5 13 1 0 0 0 0 14 5 1 6 0 0 0 5 29 1 0 0 0 0 6 18 1 0 0 0 0 6 19 2 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 19 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 M END $$$$