BM25DO -OEChem-04012115253D 71 75 0 1 0 0 0 0 0999 V2000 1.2253 -2.3122 0.2561 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 2.0818 0.4897 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -0.3831 -2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2004 7.0397 0.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -1.7390 1.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4522 -3.6268 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 1.0652 -0.5662 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 -1.2066 -1.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 -3.5261 -0.7846 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 0.3532 -1.3598 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3157 3.4696 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 3.3062 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5775 2.6237 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 1.8337 0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 1.1660 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 4.9385 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 0.2538 -1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 0.1717 -0.6908 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8857 5.6898 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8197 -3.7323 -0.9425 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9179 -3.5841 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 1.1882 -1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -2.9716 0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 -4.3188 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6856 -2.9512 1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3416 -2.3675 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 -2.4077 -1.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 -2.3776 2.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 -1.7872 2.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 1.1170 -0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6254 -1.7962 3.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8672 1.4401 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 0.5276 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9763 1.7237 1.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1685 -0.1227 -0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1796 1.0664 0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 0.1549 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9731 3.0893 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 3.7469 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6841 3.8361 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0018 3.0289 -2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 2.6747 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 1.3951 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.7925 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3253 0.6098 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8188 0.7058 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 5.4289 -0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5507 5.0219 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5348 0.2842 0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7252 5.2587 1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9986 5.6885 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5987 -4.4347 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0336 -4.5782 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8089 -2.9998 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8012 -1.5390 -1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 1.0103 -2.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0086 2.2024 -1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3537 -4.3820 -2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 -5.3416 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 -3.5741 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0358 -2.5389 -2.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 -1.6407 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0947 -2.0364 -1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6913 -2.3767 3.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 -1.3160 2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 -1.3469 4.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3551 7.4988 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9079 2.4341 2.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2553 -0.8369 -1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0502 1.2715 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2207 -0.3468 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 26 1 0 0 0 0 2 30 1 0 0 0 0 2 32 1 0 0 0 0 3 17 2 0 0 0 0 4 19 1 0 0 0 0 4 67 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 55 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 60 1 0 0 0 0 10 30 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 38 1 0 0 0 0 12 14 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 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 0 0 0 0 20 52 1 0 0 0 0 21 25 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 30 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 31 2 0 0 0 0 28 64 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 35 37 1 0 0 0 0 35 69 1 0 0 0 0 36 37 2 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 M END $$$$