B5FHE8 -OEChem-04022106393D 43 46 0 0 0 0 0 0 0999 V2000 -3.0447 4.1573 -0.5716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 4.9538 -0.4726 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -0.0630 0.1594 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6923 0.4960 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3225 0.9275 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -0.8369 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 -0.3409 0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -0.4083 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8866 0.3089 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 0.9837 1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8425 -0.7723 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 0.5690 1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0147 2.2652 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 2.6085 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 1.6177 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1749 -1.7465 -1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6797 -0.7696 0.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8473 -0.7762 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 -1.8134 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6879 -2.8627 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4958 -2.1617 -1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2467 -1.6743 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -1.8214 1.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6832 -2.8588 -0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 3.9983 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6747 -3.9800 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6701 -0.7853 -1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0183 1.6849 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3325 0.9622 2.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 3.0216 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 1.8391 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 -2.1407 -2.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 -0.4016 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9257 0.0229 1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9865 -1.8257 -1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 -2.8658 -1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5487 -1.8130 1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 -3.6630 -1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2749 -1.9979 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5391 -3.7435 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2288 -4.9157 -0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0228 -4.1585 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2886 5.0978 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 43 1 0 0 0 0 2 25 2 0 0 0 0 3 5 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 4 10 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 2 0 0 0 0 7 12 1 0 0 0 0 7 17 2 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 31 1 0 0 0 0 16 21 1 0 0 0 0 16 32 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 24 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 39 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$