BWX3M9 -OEChem-04012117422D 54 58 0 0 0 0 0 0 0999 V2000 4.6783 -4.0235 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 1.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9801 3.8876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.3881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 4.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5143 4.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 3.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3575 5.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 3.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2586 5.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 6.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0523 6.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0103 3.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -1.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 5.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 4.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3601 3.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 3.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8479 4.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5276 1.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 0.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 6.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5138 6.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -1.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3385 -1.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3859 -0.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 26 1 0 0 0 0 2 22 1 0 0 0 0 2 34 1 0 0 0 0 3 19 2 0 0 0 0 4 33 1 0 0 0 0 4 54 1 0 0 0 0 5 33 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 28 2 0 0 0 0 8 32 1 0 0 0 0 9 28 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 12 1 0 0 0 0 10 21 2 0 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 25 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 26 2 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 27 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 30 1 0 0 0 0 21 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 27 2 0 0 0 0 24 41 1 0 0 0 0 25 31 1 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 31 2 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 M END $$$$