B1PYU6 -OEChem-04022112093D 59 60 0 1 0 0 0 0 0999 V2000 -1.6658 -2.5728 -0.6239 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 -0.8728 -1.7081 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 -3.0346 0.7464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 -3.0757 -1.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 1.3877 1.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6213 2.1026 -1.0946 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -1.1169 0.2119 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 -2.7580 -1.1827 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 2.3197 -0.4877 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1751 3.7881 0.4316 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8342 4.1301 1.5584 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 2.8282 -0.3137 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 -2.6490 -0.2086 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8425 -3.9558 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 -4.2109 1.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 -3.1828 1.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1798 -1.7642 1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8995 -1.4651 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8677 -0.0539 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 -0.8004 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 1.2763 0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -0.4567 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3454 3.6929 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5122 -0.5975 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1441 0.0040 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0661 4.0341 -1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7949 -0.2775 1.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4267 0.3240 -0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7521 0.1833 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8711 3.2001 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 3.5737 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 -2.4509 0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5279 -3.9739 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1546 -4.8006 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0952 -5.2005 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -4.2585 1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2025 -3.4751 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 -3.2179 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 -1.7553 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 -1.1649 2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -2.6510 -2.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8564 -0.2385 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 -0.0392 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.3855 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6241 -0.4366 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 2.1243 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 4.3268 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 3.8655 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7742 -0.9326 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9043 0.1177 -2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 3.8710 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 5.0961 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -0.3819 2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1720 0.6831 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7505 0.4338 1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3871 4.7107 2.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 3.9734 1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 2.3544 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 2.7279 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 18 2 0 0 0 0 5 21 2 0 0 0 0 6 30 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 13 1 0 0 0 0 8 41 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 46 1 0 0 0 0 10 30 1 0 0 0 0 10 31 2 0 0 0 0 11 31 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 31 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 28 2 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 M END $$$$