B7BU2D -OEChem-04022108303D 27 29 0 0 0 0 0 0 0999 V2000 0.0171 -0.5067 -0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 -1.9176 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 -2.8094 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 0.2822 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 -0.6219 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 -0.0437 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3902 -1.8117 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 1.6665 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4809 -0.1336 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 0.1817 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 0.1794 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 2.1350 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6796 1.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 0.6405 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 0.6380 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 0.8686 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4414 2.3550 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3289 -0.8109 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4768 0.0070 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 0.0029 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 3.2066 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6926 1.6469 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 0.8198 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8129 0.8155 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 -3.7837 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 -2.6479 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9822 1.2257 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$