BY13JE -OEChem-04042107023D 46 48 0 0 0 0 0 0 0999 V2000 8.2117 0.5205 -0.0304 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.9680 0.1613 -0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 1.7653 -0.1288 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8436 -2.7513 0.2020 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8591 -1.8834 0.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1836 -0.1491 0.0612 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 -0.4805 0.0367 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7049 1.1328 -0.0983 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 -1.7608 0.1312 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9246 -0.8375 -1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8433 1.0392 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3653 -1.0688 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2887 0.7081 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7874 -0.2319 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1335 -1.4771 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 0.9278 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.3981 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -1.5593 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 0.8455 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 0.0376 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 0.5668 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0832 0.9754 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 -0.3031 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9363 2.0909 -0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0478 -0.4606 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3221 1.9331 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8779 0.6574 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4756 -1.8028 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9076 -0.2079 -1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8279 1.8401 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3324 1.3939 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9501 -1.4740 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4198 -1.7882 0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3428 -0.0005 1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8167 1.6178 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7108 -2.3950 0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4456 1.9125 -0.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 -2.5349 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 1.7872 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 -1.4233 0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -0.6402 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -0.5200 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 2.0781 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0199 -1.1782 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5198 3.0928 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9687 2.8034 -0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 21 2 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 7 40 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 8 43 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 2 4 -1 9 1 M END $$$$