B4UD2V -OEChem-04022108052D 44 46 0 1 0 0 0 0 0999 V2000 3.8451 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 1.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 -0.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -2.9979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -0.4979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -3.5857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2111 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -3.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -1.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1752 3.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1752 4.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 3.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0692 2.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 4.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0692 4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 4.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9752 2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9752 4.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8051 -2.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6047 -4.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 -5.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -5.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 -4.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -3.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 -3.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 -2.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1877 -1.3902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 -0.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2311 1.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8326 0.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 2.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0620 1.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 5.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0620 5.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 4.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5110 2.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5110 4.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 14 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 35 1 0 0 0 0 6 13 3 0 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 38 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$