B3U6WP -OEChem-04022115313D 48 52 0 0 0 0 0 0 0999 V2000 -3.3561 1.5934 -0.2254 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -2.3102 3.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 0.1363 1.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 -0.6589 1.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6103 -2.8484 1.1006 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -0.1642 0.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 2.2775 0.2044 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 -0.1269 0.9732 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -0.7289 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3652 -2.0698 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 0.2887 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 -2.4638 -1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9689 -0.0868 -1.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8633 -1.9831 2.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 0.8329 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2363 2.3944 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 -1.4475 -2.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 2.7386 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9797 1.9334 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5327 -1.1654 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 1.0455 0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 3.6609 -0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0138 4.0050 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9965 1.5738 1.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 4.4661 -1.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 -0.9160 -1.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1515 -2.4151 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 0.9368 1.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0877 -1.9165 -2.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7385 -3.4156 -1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 -3.1663 -2.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 0.1992 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6056 -3.8607 1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0029 -3.5077 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 0.6685 -2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 -1.7064 -3.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 0.9574 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 2.9201 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3444 4.0247 -1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 4.6432 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 2.4481 2.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3456 5.4521 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0445 0.0568 -1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9512 -2.6442 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 1.2034 2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -1.7166 -2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2191 -4.3894 -1.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3877 -3.9439 -2.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 14 2 0 0 0 0 3 21 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 38 1 0 0 0 0 8 28 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 17 2 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 15 21 1 0 0 0 0 15 24 2 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 37 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 28 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 29 1 0 0 0 0 26 43 1 0 0 0 0 27 30 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M END $$$$