BP1JD4 -OEChem-04022114023D 54 57 0 1 0 0 0 0 0999 V2000 -3.7262 0.7822 -1.2384 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7682 -3.1321 -0.4223 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0407 3.1568 1.6030 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 4.4083 -0.0275 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 0.2110 -2.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 2.2236 -1.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1251 2.6820 -1.8511 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 1.3335 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 0.1595 -0.4298 N 0 0 1 0 0 0 0 0 0 0 0 0 3.7486 -3.8515 0.8743 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 -4.0635 0.7711 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9067 0.8283 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1805 -1.3153 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 1.4193 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 -1.7322 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 0.1020 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.0075 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 2.3788 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 -1.7020 -1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 -2.1495 0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 2.5149 0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7576 1.5553 1.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0192 2.9267 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5704 0.8039 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6012 -1.1360 -0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 -2.5062 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 -2.0890 -1.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 -2.5366 1.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 3.0982 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6209 0.2679 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6518 -1.6720 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1615 -0.9699 1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 -2.9050 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 2.2795 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2908 -2.3783 -0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 0.1412 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5891 1.6467 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6086 -1.7829 -1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7473 -1.7101 0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 0.2815 2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0324 2.7132 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3463 -1.3804 -2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 -2.1809 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 1.2258 2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 3.6718 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1624 1.7676 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2178 -1.7017 -1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 -2.0668 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 -2.8534 1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0173 0.8139 2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0723 -2.6363 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9790 -1.3875 1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -1.6303 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 2.1329 -2.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 35 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 7 34 1 0 0 0 0 7 54 1 0 0 0 0 8 34 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 24 2 0 0 0 0 16 25 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 18 23 2 0 0 0 0 18 41 1 0 0 0 0 19 27 1 0 0 0 0 19 42 1 0 0 0 0 20 28 2 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 30 1 0 0 0 0 24 46 1 0 0 0 0 25 31 2 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 34 1 0 0 0 0 30 32 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 35 2 0 0 0 0 35 53 1 0 0 0 0 M END $$$$