B1VBK3 -OEChem-04022101422D 46 49 0 0 0 0 0 0 0999 V2000 2.7357 2.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 4.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5530 -3.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7477 -4.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 3.6555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 0.4275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2738 0.2860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 -1.1628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6721 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5731 1.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4741 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 2.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4496 2.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0731 3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9196 1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4591 3.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3436 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 2.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3353 -0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0808 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0022 -2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9835 -1.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8263 -3.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 -2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8075 -1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4556 -2.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 2.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0832 3.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 4.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 0.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 3.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 1.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -1.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 -2.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0322 -0.6808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3672 -1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 2.5706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 1.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 1.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1881 -4.5565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7225 -3.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0153 -2.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 -2.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 3 25 1 0 0 0 0 3 28 1 0 0 0 0 4 24 1 0 0 0 0 4 43 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 31 1 0 0 0 0 6 10 2 0 0 0 0 6 19 1 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 15 20 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$