BY97JD -OEChem-04042103113D 63 66 0 1 0 0 0 0 0999 V2000 -2.9432 2.7356 -0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 0.1209 -0.7785 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6514 3.6519 0.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0276 4.1555 -1.8317 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6807 -0.3407 0.9152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 0.2625 -0.0353 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8403 1.8798 -0.1204 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9865 -0.3987 -0.0120 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2503 -0.9910 1.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -0.6298 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.5896 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 0.5478 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -1.6674 1.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6987 2.4872 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0548 -1.7982 -1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6642 2.1815 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 -3.0207 1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7213 -0.9420 1.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 1.5211 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5771 -2.9646 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -1.7150 -2.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9504 -3.6485 1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9655 -1.5698 1.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1962 -4.0481 -1.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 -2.7982 -3.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -2.9230 1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 3.3025 -1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 0.9096 1.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7987 1.5064 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -3.9648 -2.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 0.2838 1.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 0.8806 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4652 0.2693 0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8488 5.4531 -1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4723 -0.3182 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 -1.1529 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 -0.1921 2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -1.6783 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -0.9993 0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 -0.1528 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 3.2332 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8391 -3.6068 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6481 0.1101 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 -3.0797 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5182 -0.8115 -2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -4.7031 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8446 -1.0056 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 -4.9623 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 -2.7334 -4.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0484 -3.4122 1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9699 2.4937 -2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 3.8483 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 0.9125 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.9838 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 -4.8095 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 -0.1910 2.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6336 0.9073 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7496 6.0394 -1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 5.9535 -1.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7026 5.3935 -0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 -0.8486 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7461 0.7042 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 -0.8583 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 27 1 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 27 1 0 0 0 0 4 34 1 0 0 0 0 5 33 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 15 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 18 23 2 0 0 0 0 18 43 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 24 30 2 0 0 0 0 24 48 1 0 0 0 0 25 30 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 M END $$$$