BNQI71 -OEChem-04022100282D 58 61 0 0 0 0 0 0 0999 V2000 3.7634 0.2198 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -1.5403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -3.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -7.6281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 5.3874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -3.1281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -1.5403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -6.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -4.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -6.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -6.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -5.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -5.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 3.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -3.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -8.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -8.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 6.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -2.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 -0.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 6.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 7.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0282 7.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4459 8.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 8.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 0.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 1.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 2.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 -6.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -6.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 -4.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -4.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 4.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 -7.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -8.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 -8.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -8.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 -8.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 -7.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 5.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 -3.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 -0.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9859 5.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 7.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6448 7.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 8.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6926 8.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 2 28 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 22 1 0 0 0 0 6 27 1 0 0 0 0 6 51 1 0 0 0 0 7 23 1 0 0 0 0 7 28 1 0 0 0 0 7 52 1 0 0 0 0 8 28 2 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 20 2 0 0 0 0 11 22 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 14 18 2 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 39 1 0 0 0 0 17 21 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 34 2 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$