BBZQ31 -OEChem-04022103332D 86 90 0 0 0 0 0 0 0999 V2000 15.7885 -0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3807 1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 -1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9167 1.0241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 -1.0241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1764 0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2464 2.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 -0.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 -2.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1674 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8521 2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 -0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7731 1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8430 2.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -2.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6387 2.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -2.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5166 0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 -0.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6487 1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1244 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7846 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9885 -0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0526 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7205 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2526 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5205 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2526 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5205 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1465 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6266 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0526 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7205 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1465 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6266 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6860 0.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4159 -0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8671 2.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6745 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -0.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -2.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 -1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0888 -0.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7411 0.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9306 3.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2784 3.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6843 0.0489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -0.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 -3.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4947 -3.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1524 0.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3449 1.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3334 3.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6035 3.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 -0.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 -1.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4396 -3.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 -3.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2537 2.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8738 2.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 -2.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8993 -2.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1199 0.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9170 0.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -0.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 -0.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0454 1.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2483 1.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7277 -1.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5247 -1.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9143 1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8588 -1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1393 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6337 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5883 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1393 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6337 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 28 2 0 0 0 0 3 37 2 0 0 0 0 4 38 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 27 1 0 0 0 0 7 29 1 0 0 0 0 7 79 1 0 0 0 0 8 28 1 0 0 0 0 8 30 1 0 0 0 0 8 80 1 0 0 0 0 9 13 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 14 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 15 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 16 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 17 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 18 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 20 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 21 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 21 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 22 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 22 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 25 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 26 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 27 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 28 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 29 35 2 0 0 0 0 29 39 1 0 0 0 0 30 36 2 0 0 0 0 30 40 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 31 37 1 0 0 0 0 32 34 2 0 0 0 0 32 36 1 0 0 0 0 32 38 1 0 0 0 0 33 38 1 0 0 0 0 33 41 1 0 0 0 0 34 37 1 0 0 0 0 34 42 1 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 39 41 2 0 0 0 0 39 83 1 0 0 0 0 40 42 2 0 0 0 0 40 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 M END $$$$