BVUR94 -OEChem-04022101092D 53 55 0 1 0 0 0 0 0999 V2000 5.0322 -2.2578 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 1.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0322 -2.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 -2.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5354 -0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0002 -1.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 2.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -1.2578 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8412 -0.6700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5322 0.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5322 0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -0.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -3.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 -3.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -3.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 -4.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4865 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -6.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 3.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 5.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 6.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 6.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9382 -1.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8137 0.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1386 0.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4674 0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6568 -0.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 -1.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -5.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4352 -5.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2949 -1.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0761 -0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 -0.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 2.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4122 -6.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -6.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6522 -6.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 3.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 3.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 5.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 5.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 6.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 6.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 10 2 1 6 0 0 0 2 17 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 13 2 0 0 0 0 7 17 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 1 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$