B1UK4E -OEChem-04022108232D 46 48 0 0 0 0 0 0 0999 V2000 11.5193 -1.2347 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0093 -2.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0293 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 0.8053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.3190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 3.8745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3795 -1.7446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2281 -3.2546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4961 -3.2345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9387 0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6591 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8105 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7873 -1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3679 -2.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 0.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8176 1.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3867 -1.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2111 0.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7802 -1.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 3.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2209 -3.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7686 -2.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4890 -3.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9628 -2.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 4 26 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 30 1 0 0 0 0 6 13 2 0 0 0 0 6 25 1 0 0 0 0 7 15 1 0 0 0 0 7 25 2 0 0 0 0 8 18 1 0 0 0 0 8 26 1 0 0 0 0 8 38 1 0 0 0 0 9 27 2 0 0 0 0 10 27 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 27 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 40 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$