BJ3SU9 -OEChem-04022118023D 72 74 0 1 0 0 0 0 0999 V2000 -0.8086 1.8853 0.9392 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 2.4888 -2.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2928 2.1088 1.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4541 0.3922 2.0494 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 -3.8240 0.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 1.7762 0.1232 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 0.6216 -1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 2.0391 -0.4316 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0687 0.6801 -0.3065 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9267 2.0268 3.5778 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1807 0.6101 -1.0779 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7006 -0.8172 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1918 -1.0689 -0.9952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 1.4018 -0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1897 -0.0743 -0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 1.4993 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 1.3877 -1.6522 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9874 1.5733 -1.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5553 2.4946 1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6712 0.2907 -0.1123 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5885 -2.4218 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6096 -0.8313 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 -0.4603 -1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 1.5559 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 1.9497 -2.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -1.6304 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -2.7862 -1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9107 -1.8031 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 3.2352 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2149 -1.2390 1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 -2.7592 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 1.5097 2.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0331 -1.9760 1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 -3.4962 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2614 -0.0344 2.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4394 -3.1999 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9654 -3.1047 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 1.0338 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3922 -1.1779 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2026 -1.4565 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 1.9826 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 1.7073 -1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 -0.0475 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 0.3078 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 3.1600 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4004 3.1113 0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -0.0945 -1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 -3.2087 -1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -1.5151 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7907 -0.4458 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3271 0.2930 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9034 1.4772 -3.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 1.7792 -2.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 3.0297 -2.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -3.8349 -1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9596 -2.0775 -1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 3.9268 -0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 3.7548 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 2.9670 0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1324 1.3640 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 -0.1264 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -1.6712 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0151 -4.3781 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 -0.1411 3.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2082 0.1094 3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 0.8625 1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8203 -2.3912 -1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2371 -3.5688 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -4.0204 -1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 2.9617 3.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 1.4782 4.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -3.4103 1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 18 2 0 0 0 0 3 24 2 0 0 0 0 4 32 2 0 0 0 0 5 37 1 0 0 0 0 5 72 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 43 1 0 0 0 0 8 17 1 0 0 0 0 8 24 1 0 0 0 0 8 29 1 0 0 0 0 9 20 1 0 0 0 0 9 60 1 0 0 0 0 9 61 1 0 0 0 0 10 32 1 0 0 0 0 10 70 1 0 0 0 0 10 71 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 23 2 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 44 1 0 0 0 0 19 32 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 47 1 0 0 0 0 21 27 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 28 1 0 0 0 0 23 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 33 1 0 0 0 0 30 35 1 0 0 0 0 31 34 2 0 0 0 0 31 36 1 0 0 0 0 33 37 2 0 0 0 0 33 62 1 0 0 0 0 34 37 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END $$$$