B4K5MP -OEChem-04022105463D 41 43 0 1 0 0 0 0 0999 V2000 0.1653 0.1920 0.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0758 0.7999 -0.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5639 3.1734 -1.6819 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5341 1.3204 2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8754 -1.8462 -0.1408 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 0.2948 0.4173 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6905 -0.2602 1.0405 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 1.0209 0.5619 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2130 2.2694 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 2.4257 -0.5184 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7137 0.9791 -0.6705 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5775 -0.6202 -0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 0.5173 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -0.5546 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 -1.3626 -0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -1.1955 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -0.6820 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 -2.3532 -1.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2533 -0.9616 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9127 -0.5196 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5944 -1.0803 1.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2538 -0.6383 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5946 -0.9187 0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 1.2785 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 2.1363 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 3.1379 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 2.9039 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5836 0.6510 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 -0.7200 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 2.7546 -2.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8686 -1.2119 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3413 -0.8790 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -0.1241 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 -2.0867 -2.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8315 -2.3965 -2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9465 -3.3567 -1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4823 -1.0871 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6587 -0.2989 -2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8598 -1.2980 2.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0328 -0.5119 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6388 -1.0109 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 30 1 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 12 29 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$