B3X2LN -OEChem-04022105553D 40 42 0 0 0 0 0 0 0999 V2000 -5.1436 -0.9617 1.4024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 0.7793 -0.7128 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8896 0.4572 -0.0335 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 -1.9102 -0.1716 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6794 -0.5501 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 1.7056 -1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -0.4704 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3077 1.7863 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 0.7022 -1.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -0.1876 -1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 0.5349 0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 0.3085 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 -1.5287 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -0.6029 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 1.6665 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6495 -0.7793 1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0728 -2.3434 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1732 -0.1151 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 2.1271 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2528 1.2349 1.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 -1.8533 1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -1.2231 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -1.0119 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 1.3977 -2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 2.7101 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2652 -1.4882 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5194 -0.1617 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 2.2381 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0606 2.4519 -0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 0.3158 -2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 1.6987 -1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 1.2251 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 0.9287 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -1.9429 -2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5033 2.3992 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 -3.4039 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 3.1763 1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0649 1.6009 1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6252 -2.8061 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7802 -0.4573 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 40 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 14 2 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 21 3 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$