B4DKF9 -OEChem-04022105103D 46 50 0 0 0 0 0 0 0999 V2000 2.9386 1.6146 0.8448 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 1.8712 0.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7619 2.3275 2.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5543 2.4790 -0.8031 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.6437 -0.9474 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7809 -0.0737 1.1383 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 2.2158 -1.9622 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9342 -1.0402 0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 -0.8938 1.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3085 -1.5134 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 -0.3924 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -0.2465 -0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4152 -1.6501 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8739 -1.2372 2.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.9522 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 -1.8468 2.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4543 -0.0482 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 -1.7115 2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 0.2268 -1.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 -2.4991 -1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 -1.1033 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2757 0.4261 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7857 0.5610 -1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 1.9494 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3294 -2.6501 -2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 -1.9522 -1.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 2.3176 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 1.9021 -1.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 2.5635 1.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7516 -0.6327 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 -1.1382 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 -2.2472 2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8507 -0.1474 1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5171 -1.9826 4.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0828 0.3328 -2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3626 -3.0642 -1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 -0.3098 1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -0.5857 -0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3068 0.6921 -0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4398 0.9318 -2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -3.3139 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 -2.0739 -2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1465 1.6541 -2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 3.5271 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 1.7811 2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4441 2.5793 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 24 1 0 0 0 0 4 7 1 0 0 0 0 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 15 1 0 0 0 0 6 37 1 0 0 0 0 7 28 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 19 2 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 21 2 0 0 0 0 16 18 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 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 25 1 0 0 0 0 20 36 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$