BJ4R2F -OEChem-04022110252D 44 47 0 0 0 0 0 0 0999 V2000 2.7144 3.3034 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 -0.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.8034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -1.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -3.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 -0.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5533 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 2.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 -1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4537 -3.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2357 -3.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 -3.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -3.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 -3.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 1.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6488 1.8858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0914 1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 1.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 0.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 -0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 -0.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 2.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 -0.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8177 -0.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 0.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 26 1 0 0 0 0 10 17 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 19 2 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 20 2 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 23 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$