B3PH7A -OEChem-04022109163D 52 56 0 0 0 0 0 0 0999 V2000 5.2614 2.1534 -0.1616 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2568 2.1599 0.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3102 -0.3356 -1.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3167 -0.3247 1.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5007 0.7594 0.6164 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4957 0.7613 -0.6176 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 1.7056 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 1.7046 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 1.7064 1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 1.7033 -1.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1019 1.7070 1.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0934 1.7033 -1.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1606 1.7038 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1519 1.7063 0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 -0.6271 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 -0.6275 -0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -1.2646 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3175 -1.2610 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6952 1.0942 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 1.0988 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1819 1.7085 2.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 1.7016 -2.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.2264 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2695 -0.2195 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 -1.3564 1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2023 -1.3605 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3484 -2.6261 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -2.6221 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2107 -2.7415 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 -2.7453 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 -3.3697 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -3.3695 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0364 2.7142 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6005 1.4509 2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 2.7116 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 1.4473 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0567 1.7185 -1.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 1.7223 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 1.8028 3.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 0.7739 3.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 2.5585 3.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 0.7666 -3.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 1.7935 -3.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7626 2.5515 -3.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 -0.9078 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 -0.9147 -1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1683 -3.1041 -0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1823 -3.0971 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3874 -3.3444 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3944 -3.3511 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 -4.4471 0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2696 -4.4468 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 25 2 0 0 0 0 16 18 1 0 0 0 0 16 26 2 0 0 0 0 17 23 1 0 0 0 0 17 27 2 0 0 0 0 18 24 1 0 0 0 0 18 28 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 31 1 0 0 0 0 27 47 1 0 0 0 0 28 32 1 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 32 2 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END $$$$