B2V1RO -OEChem-04012116442D 55 57 0 1 0 0 0 0 0999 V2000 3.4030 2.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 0.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 2.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 0.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7386 0.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5502 0.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1747 2.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 2.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1326 0.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2193 1.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7841 2.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0261 2.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 6.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0600 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 5 1 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 5 14 1 0 0 0 0 5 40 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 41 1 0 0 0 0 7 29 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 29 2 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 23 2 0 0 0 0 19 43 1 0 0 0 0 20 25 1 0 0 0 0 20 44 1 0 0 0 0 21 26 2 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$