BRN8B1 -OEChem-04012119592D 46 48 0 1 0 0 0 0 0999 V2000 6.7452 1.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 -0.0663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4113 -1.0871 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3209 0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2219 -1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 0.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 -0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 -1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5052 0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5052 -1.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4113 -0.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -1.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 -1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 0.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 1.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 -1.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 -0.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 0.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 0.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 -2.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 -2.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -0.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 -1.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 -1.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 -2.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4117 0.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 0.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8988 0.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1006 0.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1006 -2.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8988 -2.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0221 -0.1516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6203 0.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -1.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -2.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9633 -2.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8111 -1.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5874 -1.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 1.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 46 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 M END $$$$