BDAS81 -OEChem-04022115113D 45 48 0 0 0 0 0 0 0999 V2000 2.8648 -1.1416 0.5099 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 -1.1884 -0.5253 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0567 -2.1561 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 -3.0058 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 -2.9870 -0.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2058 -2.1577 1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0951 -2.1739 -1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 0.2016 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5684 0.1642 -0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3985 0.7770 -0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4505 0.7032 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8543 -1.4346 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8238 -1.5224 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 -0.2673 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2363 -0.3726 0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 0.9438 1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 0.9440 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 2.1607 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4051 2.0879 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 2.3144 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 2.3149 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3664 2.9156 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4806 2.8802 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -1.5347 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 -1.4815 -0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6339 -3.6203 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 -3.6943 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 -3.6387 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5316 -3.6469 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 -2.7864 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7832 -1.6114 2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8756 -2.8329 -1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6769 -1.6064 -2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2256 -2.4440 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1624 -2.5451 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -0.1758 -1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0193 -0.3132 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 0.4888 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9541 0.5170 -1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 2.6421 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 2.5416 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 2.9196 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9018 2.9489 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2819 3.9830 -0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 3.9486 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 16 2 0 0 0 0 9 11 1 0 0 0 0 9 17 2 0 0 0 0 10 14 1 0 0 0 0 10 18 2 0 0 0 0 11 15 1 0 0 0 0 11 19 2 0 0 0 0 12 14 2 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 18 40 1 0 0 0 0 19 23 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$