B21NBQ -OEChem-04012115223D 58 59 0 1 0 0 0 0 0999 V2000 -0.8178 0.6616 1.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7189 0.4326 1.2715 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3895 0.2589 -1.4336 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2584 0.6780 0.0121 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8196 -1.0221 0.4176 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3365 2.4612 2.2771 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7219 -2.8072 0.7722 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 -3.1683 -1.3554 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5297 2.6249 -0.8834 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9860 1.8736 0.3537 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4210 3.0495 -1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 -1.0769 0.1595 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5868 1.8075 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2243 0.1640 0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2382 -2.3463 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 1.4872 1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3091 3.8704 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 -2.6752 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -0.3487 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -0.4508 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 0.2850 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9043 -2.9029 -1.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 0.1584 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7084 -3.1033 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 1.1019 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3362 -0.9024 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3578 0.9847 1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6461 -1.0195 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1568 -0.0760 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0276 3.5373 -0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2943 2.5306 0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8727 3.6466 -2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 2.1677 -2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 -1.0368 -0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5563 0.1547 -0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9649 2.3777 -2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4493 1.5784 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 0.8668 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 -2.2546 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 -3.2035 0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 4.7215 -0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 4.2601 -2.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 3.2675 -0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -1.4407 1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -1.5140 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 -0.0395 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8508 1.3464 -0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -0.1028 -1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0539 2.3322 2.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 3.3368 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8378 -2.7035 1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2596 -2.8899 -2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7342 -3.2569 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4343 1.9316 0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 -1.6448 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7554 1.7190 1.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2683 -1.8457 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 -0.1674 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 2 0 0 0 0 3 19 2 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 5 44 1 0 0 0 0 6 16 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 7 51 1 0 0 0 0 8 22 1 0 0 0 0 8 24 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 11 17 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 52 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 53 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 M END $$$$