B3D1OX -OEChem-04022109503D 42 44 0 0 0 0 0 0 0999 V2000 3.4335 -1.8645 0.9969 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4336 1.8652 0.9955 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -1.0304 -1.9717 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 1.0288 -1.9726 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8854 -1.0282 2.7776 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8847 1.0311 2.7769 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1175 2.8172 -2.1734 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1173 -2.8191 -2.1711 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -2.9707 0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 -1.4602 2.3888 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2842 2.9710 0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 1.4620 2.3877 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -2.1405 0.4034 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 2.1409 0.4016 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 -1.0575 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 1.0580 0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9382 -0.4603 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9383 0.4601 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 -0.5292 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4547 0.5287 -0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -0.5281 1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 0.5299 1.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6931 0.8284 0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -0.8281 0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 -0.6418 -1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5819 0.6407 -1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 1.9353 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 -1.9356 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9802 0.4652 -1.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 -0.4669 -1.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 1.7538 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7349 -1.7551 -1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 -2.7569 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 2.7566 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1961 0.9946 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1959 -0.9935 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 -1.6358 -1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 1.6344 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 2.9385 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9011 -2.9386 0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 0.3244 -2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4795 -0.3269 -2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 17 25 1 0 0 0 0 18 24 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 23 27 1 0 0 0 0 23 35 1 0 0 0 0 24 28 1 0 0 0 0 24 36 1 0 0 0 0 25 29 2 0 0 0 0 25 37 1 0 0 0 0 26 30 2 0 0 0 0 26 38 1 0 0 0 0 27 31 2 0 0 0 0 27 39 1 0 0 0 0 28 32 2 0 0 0 0 28 40 1 0 0 0 0 29 31 1 0 0 0 0 29 41 1 0 0 0 0 30 32 1 0 0 0 0 30 42 1 0 0 0 0 M END $$$$