LAB Mrv0541 02241213512D 31 33 0 0 0 0 999 V2000 -3.7374 -1.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9402 -1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 -0.3942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8193 -0.4389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6072 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.6842 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.2013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0197 0.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7588 -0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -0.2665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5914 -0.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2187 1.1367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0289 0.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 1.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8614 2.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 1.4486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1315 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2117 1.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 -0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 -1.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 0.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1398 -0.8182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 7 4 1 6 0 0 0 4 5 1 0 0 0 0 4 28 1 1 0 0 0 5 6 1 0 0 0 0 7 14 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 1 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 6 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 1 0 0 0 17 31 1 6 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 25 2 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M END