B5BMD4 -OEChem-04022112523D 54 56 0 1 0 0 0 0 0999 V2000 -3.6075 -3.6971 0.4662 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2069 -2.6431 1.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 0.4043 -0.1521 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3769 -1.6412 -0.3097 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 -1.9955 -0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -1.8161 -0.7573 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3084 1.1543 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3502 1.4095 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7554 2.3766 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 -0.0896 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1294 2.6791 1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5354 3.6446 -0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5824 3.8902 0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9788 -1.3608 0.0219 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0930 -2.5911 -0.2681 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6255 -2.4120 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9551 -0.5743 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -0.4609 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 0.8981 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 0.7735 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1959 -0.2457 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 -1.5856 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5434 -1.4801 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0925 2.1326 -0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5816 -0.1211 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 2.2380 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2133 1.1133 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3364 1.0036 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3304 1.4933 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8383 0.5880 1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 2.2061 -2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6987 2.5250 -0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 -0.2612 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4425 0.1095 -0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1864 2.5378 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0855 2.8638 2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0754 4.5048 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5578 3.5591 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2046 4.7670 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 4.1188 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9292 -1.2064 1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1563 -2.8594 -1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9805 -0.9162 0.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6649 -2.5112 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6166 -3.4549 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 -1.8129 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0892 -2.6125 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 1.6506 -0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 -2.5578 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -2.3710 0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 3.0251 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1824 -0.9869 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 3.1987 -0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2858 1.1960 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 45 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 14 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 46 1 0 0 0 0 6 17 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$