BQR7V3 -OEChem-04022108352D 44 46 0 0 0 0 0 0 0999 V2000 8.0554 -2.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5193 -2.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 -0.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.4790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 3.0345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9387 -0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9271 -1.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8105 -0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7873 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6591 -1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6707 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0438 -3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3910 -1.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -0.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8176 0.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7802 -2.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2111 -0.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 2.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4239 -3.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0367 -3.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -3.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6948 -2.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9315 -1.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0873 -1.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 22 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 28 1 0 0 0 0 5 9 2 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 21 2 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 33 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$