B83MQP -OEChem-04022106313D 40 42 0 0 0 0 0 0 0999 V2000 -4.4811 2.0451 -0.2002 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 2.4278 0.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 0.4284 1.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 2.2370 -0.5889 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 1.8915 -0.7717 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 0.0034 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 0.7193 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 1.3295 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7501 0.3205 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1968 -1.3896 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4908 0.4089 1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3952 -2.1022 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4325 0.6838 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 -0.2706 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 1.4640 0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6125 -1.4217 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -0.0288 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3756 -3.5916 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5994 -1.6407 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 0.4672 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4147 -2.2752 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 -0.1673 -1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9935 -1.5386 -1.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 -0.5727 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 -1.9414 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -0.1028 2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 1.4358 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 -0.3671 1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 3.1102 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5533 -1.9650 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 0.4875 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5453 -3.9410 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -3.9807 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2681 -4.0171 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1527 -2.2260 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7707 1.5366 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 -3.3431 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2086 0.4065 -2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6285 -2.0327 -1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4106 2.3309 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 40 1 0 0 0 0 2 15 2 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 29 1 0 0 0 0 5 7 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$