BOU6Q3 -OEChem-04022106263D 52 57 0 0 0 0 0 0 0999 V2000 3.1294 1.6396 2.7477 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5248 3.1333 1.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 0.4287 -0.9035 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 -0.7425 -1.0169 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 0.5118 -0.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1779 -0.2598 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4526 -0.3690 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 -0.8165 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9188 1.0899 -1.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 -0.3421 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9248 0.3469 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8207 1.2068 -1.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 1.1096 -1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7468 -0.7241 0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4676 -1.6623 1.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 0.2661 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -0.0248 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -0.8840 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3228 2.4768 -1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 -0.2351 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 1.0124 0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 1.1650 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8769 -1.5628 1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7554 -2.0262 2.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2421 -1.3114 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 -1.9232 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 -2.1414 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5390 0.5704 0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 -1.5500 -0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 2.0311 1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9134 0.3238 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 -0.7371 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4178 1.1439 -2.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8028 0.4607 -1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3838 -0.9383 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2082 1.8076 -2.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 1.6455 -2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6283 -0.3664 0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6026 -2.0318 2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8472 2.4330 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9892 2.9454 -2.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 3.1231 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6326 1.9621 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8686 -1.8561 1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8801 -2.6773 3.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 -2.5951 -2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 -2.9744 -2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 1.4169 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0706 -2.3779 -1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5556 0.9626 1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 -0.9330 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5114 2.3306 3.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 52 1 0 0 0 0 2 30 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 16 2 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 9 19 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 23 1 0 0 0 0 14 38 1 0 0 0 0 15 24 1 0 0 0 0 15 39 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 26 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 25 1 0 0 0 0 20 28 2 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 31 1 0 0 0 0 28 48 1 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 M END $$$$