BE47TJ -OEChem-04042105473D 64 68 0 1 0 0 0 0 0999 V2000 -1.3103 -2.0853 0.2643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 -1.5144 -2.6214 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4536 -0.7173 -0.8497 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 -1.7427 -1.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 1.4254 0.2159 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 1.8811 -0.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -1.7875 0.2633 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 -0.2106 0.6526 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 -1.1021 -1.3563 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0522 -0.8494 -0.4227 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8500 -2.2548 -0.7135 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1660 -0.4981 -1.3797 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2786 -3.0310 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8732 -1.4023 -2.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -1.0639 1.1606 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1398 -1.5715 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6279 -2.1873 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9611 -2.2916 1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2717 -0.8488 0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9081 0.3912 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 1.1002 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2789 0.0895 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4069 0.4378 -0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4252 -0.5393 1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 2.7630 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6812 0.1573 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6993 -0.8198 2.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8273 -0.4715 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 2.9500 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8808 2.6729 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0054 3.4010 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 2.8469 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3783 3.5751 1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 3.2980 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -0.2190 -1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -0.0840 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -2.8817 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0586 0.5350 -1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -3.7557 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -3.5642 0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 -2.4029 -2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 -0.9957 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 -1.5656 1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 -0.4953 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 -3.1359 1.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 -1.8934 2.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7483 -2.7493 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8391 -2.8943 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8128 -0.3350 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8402 -0.7482 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9402 1.2944 -0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 0.5844 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3059 0.9262 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5538 -0.8175 2.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5128 2.9416 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6044 3.4772 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5595 0.4280 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8132 -1.3100 3.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8194 -0.6901 1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 2.3217 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5819 3.6178 1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 2.6425 -2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 3.9256 1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2099 3.4349 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 16 2 0 0 0 0 5 21 1 0 0 0 0 5 25 1 0 0 0 0 6 21 2 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 43 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 M END $$$$