BO83WB -OEChem-04012113042D 44 48 0 0 0 0 0 0 0999 V2000 11.5883 -2.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 1.3345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 1.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1051 -1.4421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4989 -0.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 1.5297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 -0.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0938 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5938 -2.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 -3.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9302 -3.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7962 -3.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 0.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 -0.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 1.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 2.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 1.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 0.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 -0.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 3.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 2.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 1.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5806 -3.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8654 -4.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3626 -3.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 27 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 5 17 2 0 0 0 0 6 14 2 0 0 0 0 6 18 1 0 0 0 0 7 18 2 0 0 0 0 8 17 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$