B3FO6S -OEChem-04042101543D 42 44 0 0 0 0 0 0 0999 V2000 -5.4402 2.8969 0.2494 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9291 1.9843 -0.5636 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -1.8031 -0.4653 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 -1.1842 -0.2971 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8613 -0.5842 -0.1341 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 0.0537 0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 -3.7937 0.3697 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 2.0670 -0.2768 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 1.6966 0.4042 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 -2.8481 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9071 -1.5218 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 -2.1338 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1427 -0.9312 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5419 -3.1685 0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 -2.2053 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4011 -0.6172 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 -3.4243 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 3.4732 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7488 -0.5573 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 1.4146 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 0.5269 0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4527 0.6284 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 4.3315 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7684 1.7169 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6912 3.9829 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 -4.1877 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -2.4654 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -2.5762 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7496 -4.2088 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 -0.2549 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 3.6368 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7393 3.7287 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2614 -1.4264 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0508 1.5329 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7732 0.5732 0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 0.6916 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 4.1892 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 4.0808 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1621 5.3906 0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3141 3.7464 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8712 4.2611 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3615 4.8431 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 20 2 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 3 28 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 30 1 0 0 0 0 7 10 2 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 34 1 0 0 0 0 9 21 1 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 12 17 2 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 29 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$