BNB7I2 -OEChem-04012118502D 44 46 0 0 0 0 0 0 0999 V2000 4.5981 1.1488 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 5.1433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 3.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 4.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -5.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -4.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3726 3.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 4.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 5.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 4 37 1 0 0 0 0 5 18 2 0 0 0 0 5 20 1 0 0 0 0 6 20 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 15 2 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 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 $$$$